 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_wB97XD_def2SVPD.in
 Output=12_L-valine_conformer17_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-13336.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13345.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer17_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0126898119 Hartrees.
 Nuclear repulsion after empirical dispersion term =      413.2481382607 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.19D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.987654545565    
 DIIS: error= 3.96D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.987654545565     IErMin= 1 ErrMin= 3.96D-03
 ErrMax= 3.96D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.96D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.423 Goal=   None    Shift=    0.000
 GapD=    0.423 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.11D-03 MaxDP=2.43D-01              OVMax= 1.55D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.04D-03    CP:  1.04D+00
 E= -401.996781507459     Delta-E=       -0.009126961894 Rises=F Damp=F
 DIIS: error= 6.51D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.996781507459     IErMin= 2 ErrMin= 6.51D-04
 ErrMax= 6.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-04 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.51D-03
 Coeff-Com: -0.499D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.496D-02 0.100D+01
 Gap=     0.421 Goal=   None    Shift=    0.000
 RMSDP=7.95D-04 MaxDP=3.41D-02 DE=-9.13D-03 OVMax= 7.06D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.98D-04    CP:  1.05D+00  1.14D+00
 E= -401.997091033115     Delta-E=       -0.000309525656 Rises=F Damp=F
 DIIS: error= 6.87D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.997091033115     IErMin= 2 ErrMin= 6.51D-04
 ErrMax= 6.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-04 BMatP= 3.94D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.87D-03
 Coeff-Com: -0.474D-01 0.481D+00 0.566D+00
 Coeff-En:   0.000D+00 0.740D-01 0.926D+00
 Coeff:     -0.471D-01 0.478D+00 0.569D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=1.42D-04 MaxDP=8.02D-03 DE=-3.10D-04 OVMax= 2.62D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.16D-05    CP:  1.05D+00  1.16D+00  1.05D+00
 E= -401.997304933410     Delta-E=       -0.000213900294 Rises=F Damp=F
 DIIS: error= 1.05D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.997304933410     IErMin= 4 ErrMin= 1.05D-04
 ErrMax= 1.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.19D-06 BMatP= 3.13D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.05D-03
 Coeff-Com: -0.143D-01 0.818D-01 0.156D+00 0.776D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.143D-01 0.818D-01 0.156D+00 0.776D+00
 Gap=     0.416 Goal=   None    Shift=    0.000
 RMSDP=5.55D-05 MaxDP=2.22D-03 DE=-2.14D-04 OVMax= 8.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.12D-05    CP:  1.05D+00  1.16D+00  1.13D+00  1.15D+00
 E= -401.997312114866     Delta-E=       -0.000007181457 Rises=F Damp=F
 DIIS: error= 5.30D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.997312114866     IErMin= 5 ErrMin= 5.30D-05
 ErrMax= 5.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-06 BMatP= 8.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-02-0.368D-01-0.317D-01 0.308D+00 0.759D+00
 Coeff:      0.143D-02-0.368D-01-0.317D-01 0.308D+00 0.759D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=2.11D-05 MaxDP=1.33D-03 DE=-7.18D-06 OVMax= 3.32D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.20D-05    CP:  1.05D+00  1.16D+00  1.16D+00  1.22D+00  1.03D+00
 E= -401.997313902613     Delta-E=       -0.000001787747 Rises=F Damp=F
 DIIS: error= 9.13D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.997313902613     IErMin= 6 ErrMin= 9.13D-06
 ErrMax= 9.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-07 BMatP= 1.81D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-02-0.183D-01-0.195D-01 0.832D-01 0.293D+00 0.661D+00
 Coeff:      0.123D-02-0.183D-01-0.195D-01 0.832D-01 0.293D+00 0.661D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=5.58D-06 MaxDP=5.17D-04 DE=-1.79D-06 OVMax= 1.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.65D-06    CP:  1.05D+00  1.16D+00  1.17D+00  1.25D+00  1.09D+00
                    CP:  1.13D+00
 E= -401.997313998513     Delta-E=       -0.000000095900 Rises=F Damp=F
 DIIS: error= 5.98D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.997313998513     IErMin= 7 ErrMin= 5.98D-06
 ErrMax= 5.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-08 BMatP= 1.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-03-0.283D-02-0.368D-02-0.815D-02 0.203D-01 0.302D+00
 Coeff-Com:  0.692D+00
 Coeff:      0.327D-03-0.283D-02-0.368D-02-0.815D-02 0.203D-01 0.302D+00
 Coeff:      0.692D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=2.32D-06 MaxDP=2.26D-04 DE=-9.59D-08 OVMax= 7.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.20D-06    CP:  1.05D+00  1.16D+00  1.17D+00  1.25D+00  1.12D+00
                    CP:  1.24D+00  1.26D+00
 E= -401.997314020090     Delta-E=       -0.000000021577 Rises=F Damp=F
 DIIS: error= 1.66D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.997314020090     IErMin= 8 ErrMin= 1.66D-06
 ErrMax= 1.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.97D-09 BMatP= 2.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.602D-04 0.185D-02 0.189D-02-0.170D-01-0.394D-01 0.540D-02
 Coeff-Com:  0.290D+00 0.758D+00
 Coeff:     -0.602D-04 0.185D-02 0.189D-02-0.170D-01-0.394D-01 0.540D-02
 Coeff:      0.290D+00 0.758D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=1.13D-06 MaxDP=1.28D-04 DE=-2.16D-08 OVMax= 2.66D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.03D-07    CP:  1.05D+00  1.16D+00  1.17D+00  1.26D+00  1.13D+00
                    CP:  1.30D+00  1.42D+00  1.21D+00
 E= -401.997314023386     Delta-E=       -0.000000003296 Rises=F Damp=F
 DIIS: error= 4.07D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.997314023386     IErMin= 9 ErrMin= 4.07D-07
 ErrMax= 4.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-10 BMatP= 2.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.540D-04 0.971D-03 0.107D-02-0.592D-02-0.173D-01-0.331D-01
 Coeff-Com:  0.414D-01 0.272D+00 0.741D+00
 Coeff:     -0.540D-04 0.971D-03 0.107D-02-0.592D-02-0.173D-01-0.331D-01
 Coeff:      0.414D-01 0.272D+00 0.741D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=5.40D-07 MaxDP=6.94D-05 DE=-3.30D-09 OVMax= 7.93D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.65D-07    CP:  1.05D+00  1.16D+00  1.17D+00  1.26D+00  1.13D+00
                    CP:  1.32D+00  1.50D+00  1.36D+00  1.33D+00
 E= -401.997314023727     Delta-E=       -0.000000000341 Rises=F Damp=F
 DIIS: error= 1.57D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.997314023727     IErMin=10 ErrMin= 1.57D-07
 ErrMax= 1.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-11 BMatP= 2.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-04 0.895D-04 0.100D-03 0.149D-03-0.537D-03-0.974D-02
 Coeff-Com: -0.168D-01-0.133D-01 0.210D+00 0.830D+00
 Coeff:     -0.103D-04 0.895D-04 0.100D-03 0.149D-03-0.537D-03-0.974D-02
 Coeff:     -0.168D-01-0.133D-01 0.210D+00 0.830D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=1.70D-07 MaxDP=2.14D-05 DE=-3.41D-10 OVMax= 2.63D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.29D-08    CP:  1.05D+00  1.16D+00  1.17D+00  1.26D+00  1.13D+00
                    CP:  1.32D+00  1.53D+00  1.42D+00  1.46D+00  1.15D+00
 E= -401.997314023749     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.55D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.997314023749     IErMin=11 ErrMin= 3.55D-08
 ErrMax= 3.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-12 BMatP= 2.08D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.343D-05-0.841D-04-0.983D-04 0.708D-03 0.181D-02 0.130D-02
 Coeff-Com: -0.773D-02-0.339D-01-0.279D-01 0.188D+00 0.877D+00
 Coeff:      0.343D-05-0.841D-04-0.983D-04 0.708D-03 0.181D-02 0.130D-02
 Coeff:     -0.773D-02-0.339D-01-0.279D-01 0.188D+00 0.877D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=6.18D-08 MaxDP=7.56D-06 DE=-2.21D-11 OVMax= 9.10D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.63D-08    CP:  1.05D+00  1.16D+00  1.17D+00  1.26D+00  1.13D+00
                    CP:  1.32D+00  1.53D+00  1.44D+00  1.52D+00  1.26D+00
                    CP:  1.31D+00
 E= -401.997314023759     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 1.82D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.997314023759     IErMin=12 ErrMin= 1.82D-08
 ErrMax= 1.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-13 BMatP= 1.66D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.200D-05-0.361D-04-0.420D-04 0.221D-03 0.633D-03 0.112D-02
 Coeff-Com: -0.113D-02-0.101D-01-0.254D-01-0.968D-02 0.282D+00 0.763D+00
 Coeff:      0.200D-05-0.361D-04-0.420D-04 0.221D-03 0.633D-03 0.112D-02
 Coeff:     -0.113D-02-0.101D-01-0.254D-01-0.968D-02 0.282D+00 0.763D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=1.23D-08 MaxDP=1.32D-06 DE=-1.00D-11 OVMax= 2.53D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.01D-09    CP:  1.05D+00  1.16D+00  1.17D+00  1.26D+00  1.13D+00
                    CP:  1.32D+00  1.53D+00  1.44D+00  1.53D+00  1.28D+00
                    CP:  1.42D+00  1.11D+00
 E= -401.997314023751     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 3.92D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.997314023759     IErMin=13 ErrMin= 3.92D-09
 ErrMax= 3.92D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-14 BMatP= 2.11D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-06 0.547D-05 0.637D-05-0.576D-04-0.141D-03-0.506D-04
 Coeff-Com:  0.856D-03 0.300D-02 0.825D-03-0.271D-01-0.822D-01 0.116D+00
 Coeff-Com:  0.989D+00
 Coeff:     -0.126D-06 0.547D-05 0.637D-05-0.576D-04-0.141D-03-0.506D-04
 Coeff:      0.856D-03 0.300D-02 0.825D-03-0.271D-01-0.822D-01 0.116D+00
 Coeff:      0.989D+00
 Gap=     0.417 Goal=   None    Shift=    0.000
 RMSDP=4.95D-09 MaxDP=4.35D-07 DE= 8.30D-12 OVMax= 1.29D-07

 SCF Done:  E(RwB97XD) =  -401.997314024     A.U. after   13 cycles
            NFock= 13  Conv=0.50D-08     -V/T= 2.0106
 KE= 3.977772737441D+02 PE=-1.763068220513D+03 EE= 5.500454944849D+02
 Leave Link  502 at Fri Aug 13 10:48:53 2021, MaxMem=  5368709120 cpu:             819.8 elap:             102.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.30662649D+02

 Leave Link  801 at Fri Aug 13 10:48:54 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.68D-01 5.71D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.47D-02 3.85D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.80D-03 9.22D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 6.91D-05 1.69D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.88D-06 2.63D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 6.22D-08 6.27D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.67D-09 1.13D-05.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 3.50D-11 1.24D-06.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 5.20D-13 9.65D-08.
      2 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 7.91D-15 1.25D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.791733D+02
      2 -0.257184D+01  0.813072D+02
      3  0.178200D+01 -0.138217D+01  0.716697D+02
 Isotropic polarizability for W=    0.088559       77.38 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.741801D+02  0.105384D+02  0.205422D+02
      2   0.409283D+02 -0.707609D+01 -0.152530D+02
      3   0.332518D+02 -0.346227D+01 -0.528923D+01
      4  -0.111224D+02 -0.248480D+02  0.120316D+02
      5   0.150469D+02  0.918539D+01 -0.509114D+02
      6   0.114894D+02 -0.116407D+02 -0.199082D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.184031D+01  0.176044D+01  0.740570D+01
      2   0.105208D+02  0.209668D+01 -0.269404D+02
      3  -0.102143D+02  0.128028D+02 -0.742204D-01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.284620D+01  0.361233D+01  0.164459D+02
      2   0.549534D+01  0.542149D+00 -0.841632D+02
      3  -0.216607D+02  0.657763D+02  0.230405D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.299680D+00 -0.193184D+01  0.502999D-01
      2  -0.193184D+01 -0.821729D+00  0.123602D+01
      3   0.502999D-01  0.123602D+01  0.704198D+00
 OR G Eigenvalues:    -2.5979     0.6246     2.1555  Iso=    -0.0607
 Eigenvectors:
   (1)   0.532132   0.790241  -0.303901
   (2)   0.577075  -0.075876   0.813159
   (3)   0.619533  -0.608081  -0.496404
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0607 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -26.28 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 5.88D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.22D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 2.71D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 6.08D-02 3.34D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.52D-03 5.87D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 1.65D-05 5.26D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.09D-07 5.27D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 2.06D-09 4.54D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 1.60D-11 4.07D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 1.08D-13 3.91D-08.
      1 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 7.78D-16 2.80D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.09D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.09D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.40D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.791733D+02 -0.257184D+01  0.178200D+01
      2  -0.257184D+01  0.813072D+02 -0.138217D+01
      3   0.178200D+01 -0.138217D+01  0.716697D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.184031D+01  0.176044D+01  0.740570D+01
      2   0.105208D+02  0.209668D+01 -0.269404D+02
      3  -0.102143D+02  0.128028D+02 -0.742204D-01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.741801D+02  0.105384D+02  0.205422D+02
      2   0.409283D+02 -0.707609D+01 -0.152530D+02
      3   0.332518D+02 -0.346227D+01 -0.528923D+01
      4  -0.111224D+02 -0.248480D+02  0.120316D+02
      5   0.150469D+02  0.918539D+01 -0.509114D+02
      6   0.114894D+02 -0.116407D+02 -0.199082D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.506397D+01  0.148768D+01 -0.398693D+01  0.117901D+01 -0.344695D+01
      2   0.148768D+01 -0.346113D+01 -0.695149D+00 -0.344695D+01  0.158613D+01
      3  -0.398693D+01 -0.695149D+00  0.254776D+00 -0.469261D+00 -0.275649D+01
                 6             7             8             9            10 
      1  -0.469261D+00 -0.307741D+01 -0.511341D+00 -0.190091D+00 -0.465907D+01
      2  -0.275649D+01 -0.511341D+00 -0.206143D+01 -0.230667D+01 -0.203962D+00
      3  -0.184090D+01 -0.190091D+00 -0.230667D+01  0.264907D+01  0.311200D+01
                11            12            13            14            15 
      1  -0.203962D+00  0.311200D+01  0.915882D+00  0.426163D+01  0.746399D+00
      2   0.361866D+01  0.814186D+00  0.426163D+01  0.130444D+01  0.296988D+01
      3   0.814186D+00  0.321095D+00  0.746399D+00  0.296988D+01  0.273672D+01
                16            17            18            19            20 
      1   0.457051D+01  0.975022D+00  0.258165D+00  0.444407D+01  0.572613D-01
      2   0.975022D+00  0.291945D+01  0.341287D+01  0.572613D-01 -0.185042D+01
      3   0.258165D+00  0.341287D+01 -0.347212D+01 -0.194009D+01 -0.120266D+01
                21            22            23            24            25 
      1  -0.194009D+01  0.118273D+00 -0.256614D+01 -0.103158D+01 -0.244907D+01
      2  -0.120266D+01 -0.256614D+01  0.434429D+00  0.119232D+00 -0.128814D+01
      3   0.565128D+00 -0.103158D+01  0.119232D+00 -0.241340D+01  0.106680D+01
                26            27            28            29            30 
      1  -0.128814D+01  0.106680D+01 -0.427722D-01  0.715082D+00  0.512917D-01
      2  -0.589964D+00 -0.289889D+01  0.715082D+00  0.211083D+01  0.115961D+01
      3  -0.289889D+01  0.414237D+01  0.512917D-01  0.115961D+01  0.382367D+00
                31            32            33            34            35 
      1  -0.123501D+01  0.114593D+00  0.864689D+00 -0.955967D+00  0.122291D+01
      2   0.114593D+00 -0.599641D+01  0.124460D+01  0.122291D+01  0.199492D+01
      3   0.864689D+00  0.124460D+01  0.642661D+00 -0.314109D+00  0.125143D+01
                36            37            38            39            40 
      1  -0.314109D+00  0.533546D+01 -0.864659D+00  0.198748D+01  0.587639D+00
      2   0.125143D+01 -0.864659D+00  0.429395D+00 -0.396731D-01  0.183195D+01
      3  -0.239186D+00  0.198748D+01 -0.396731D-01  0.129971D+01  0.110325D+01
                41            42            43            44            45 
      1   0.183195D+01  0.110325D+01  0.263938D+01 -0.131498D-01  0.222585D+01
      2   0.381835D+01  0.187826D+01 -0.131498D-01  0.586284D+00 -0.582738D+00
      3   0.187826D+01  0.101531D+01  0.222585D+01 -0.582738D+00  0.337734D+01
                46            47            48            49            50 
      1   0.489009D+01  0.351865D+00 -0.292393D+01  0.112964D+01 -0.328523D+01
      2   0.351865D+00 -0.324952D+01 -0.374643D+00 -0.328523D+01 -0.550873D+00
      3  -0.292393D+01 -0.374643D+00  0.339210D+00 -0.535129D+00 -0.194849D+01
                51            52            53            54            55 
      1  -0.535129D+00 -0.340356D+01 -0.376823D+00  0.975696D+00  0.949680D+00
      2  -0.194849D+01 -0.376823D+00 -0.163519D+01 -0.268022D+01  0.587762D+00
      3  -0.198956D+01  0.975696D+00 -0.268022D+01  0.598111D+01  0.186125D+01
                56            57            58            59            60 
      1   0.587762D+00  0.186125D+01  0.333548D+00  0.322618D+01  0.536644D-02
      2   0.353320D+01  0.228128D+00  0.322618D+01 -0.282391D+00  0.831081D+00
      3   0.228128D+00 -0.178253D+01  0.536644D-02  0.831081D+00  0.569556D+00
                61            62            63            64            65 
      1   0.281790D+01 -0.107899D+01 -0.229776D+01 -0.218852D+01  0.285965D+01
      2  -0.107899D+01  0.198473D+01  0.887102D+00  0.285965D+01  0.108222D+00
      3  -0.229776D+01  0.887102D+00  0.177825D+01 -0.562683D+00 -0.444425D+00
                66            67            68            69            70 
      1  -0.562683D+00  0.413489D+01  0.111227D+01 -0.489666D-01 -0.242009D+00
      2  -0.444425D+00  0.111227D+01  0.135119D+02 -0.131293D+01 -0.501537D+00
      3  -0.282457D+00 -0.489666D-01 -0.131293D+01  0.215842D+01  0.226837D+00
                71            72            73            74            75 
      1  -0.501537D+00  0.226837D+00 -0.127950D+01  0.477060D+00 -0.848551D+00
      2  -0.851407D+00  0.258175D+01  0.477060D+00 -0.595476D-01  0.165501D+00
      3   0.258175D+01 -0.869199D+00 -0.848551D+00  0.165501D+00 -0.440238D+00
                76            77            78            79            80 
      1   0.694416D+00  0.945522D-01  0.152411D+00 -0.131458D+01  0.481323D+00
      2   0.945522D-01  0.119330D+01 -0.157333D+01  0.481323D+00 -0.193506D+01
      3   0.152411D+00 -0.157333D+01  0.197206D+01 -0.153055D+00  0.167748D+01
                81            82            83            84            85 
      1  -0.153055D+00 -0.219816D+01 -0.161228D+01 -0.165793D+01 -0.238159D+01
      2   0.167748D+01 -0.161228D+01 -0.232556D+01 -0.769913D+00 -0.246101D+01
      3  -0.755087D+01 -0.165793D+01 -0.769913D+00 -0.131906D+01 -0.771223D+00
                86            87            88            89            90 
      1  -0.246101D+01 -0.771223D+00 -0.229564D+01 -0.816398D+00 -0.121711D+01
      2  -0.496572D+01 -0.209876D+01 -0.816398D+00 -0.233495D+01 -0.211064D+01
      3  -0.209876D+01 -0.215936D+01 -0.121711D+01 -0.211064D+01 -0.193544D+01
                91            92            93            94            95 
      1   0.110170D+01 -0.733867D+00  0.615127D-01 -0.237044D+01 -0.167627D-01
      2  -0.733867D+00  0.294434D-01 -0.536958D+00 -0.167627D-01 -0.502372D+01
      3   0.615127D-01 -0.536958D+00  0.120325D+00 -0.164826D+01 -0.541944D+00
                96            97            98            99           100 
      1  -0.164826D+01  0.886007D-01 -0.564686D+00  0.732732D-01 -0.223873D+01
      2  -0.541944D+00 -0.564686D+00 -0.249649D+00 -0.922542D+00 -0.179318D+01
      3  -0.227885D+01  0.732732D-01 -0.922542D+00  0.723223D+00 -0.107489D-01
               101           102           103           104           105 
      1  -0.179318D+01 -0.107489D-01 -0.205892D+01 -0.198929D+01 -0.251461D+00
      2  -0.398495D+01 -0.668488D+00 -0.198929D+01 -0.636635D+01 -0.115180D+01
      3  -0.668488D+00 -0.631609D+00 -0.251461D+00 -0.115180D+01 -0.120225D+01
               106           107           108           109           110 
      1   0.200586D+00  0.276288D-01  0.637033D-01  0.354201D+01 -0.163226D+01
      2   0.276288D-01 -0.489624D+00 -0.712154D+00 -0.163226D+01  0.164390D+01
      3   0.637033D-01 -0.712154D+00 -0.215387D+00 -0.232648D+01  0.123034D+01
               111           112           113           114           115 
      1  -0.232648D+01 -0.705107D+00  0.983584D+00  0.587555D+00 -0.299364D+01
      2   0.123034D+01  0.983584D+00 -0.144671D+01 -0.113636D+01  0.150525D+01
      3   0.296982D+01  0.587555D+00 -0.113636D+01 -0.973070D+00  0.291774D+01
               116           117           118           119           120 
      1   0.150525D+01  0.291774D+01 -0.976997D+01  0.131084D+01  0.158763D+01
      2  -0.197895D+01 -0.200455D+01  0.131084D+01 -0.119161D+01 -0.217322D-02
      3  -0.200455D+01 -0.369498D+01  0.158763D+01 -0.217322D-02 -0.156622D+01
               121           122           123           124           125 
      1  -0.685095D+00 -0.665078D+00  0.587207D-01  0.277412D+01 -0.460870D+00
      2  -0.665078D+00  0.816945D-01  0.489361D+00 -0.460870D+00  0.794147D+00
      3   0.587207D-01  0.489361D+00 -0.848739D-01 -0.153907D+01  0.359077D+00
               126           127           128           129           130 
      1  -0.153907D+01  0.346274D+01  0.578902D+00  0.873616D+00  0.163641D+01
      2   0.359077D+00  0.578902D+00  0.201455D+01  0.371239D+00  0.675256D+00
      3   0.491155D+00  0.873616D+00  0.371239D+00  0.762048D+00  0.341834D+00
               131           132           133           134           135 
      1   0.675256D+00  0.341834D+00  0.123082D+01  0.942815D-01  0.209760D+00
      2   0.514242D+01  0.127113D+01  0.942815D-01  0.220346D+01  0.144953D+01
      3   0.127113D+01  0.157029D+01  0.209760D+00  0.144953D+01  0.737923D+00
               136           137           138           139           140 
      1  -0.103690D+01  0.349098D+00 -0.858821D+00  0.152924D+00 -0.776783D-01
      2   0.349098D+00  0.172533D+00  0.193841D+00 -0.776783D-01  0.117952D+01
      3  -0.858821D+00  0.193841D+00 -0.593577D+00  0.365775D+00 -0.121027D+01
               141           142           143           144           145 
      1   0.365775D+00 -0.179169D+01  0.853543D+00 -0.158876D+01 -0.754385D+01
      2  -0.121027D+01  0.853543D+00 -0.201301D+01  0.241948D+01 -0.116360D+01
      3   0.143140D+01 -0.158876D+01  0.241948D+01 -0.808305D+01  0.353573D+01
               146           147           148           149           150 
      1  -0.116360D+01  0.353573D+01 -0.908136D+00 -0.762099D+00  0.427662D+00
      2  -0.111934D+01  0.785332D+00 -0.762099D+00 -0.781624D+00  0.880689D+00
      3   0.785332D+00 -0.321203D+01  0.427662D+00  0.880689D+00 -0.168389D+00
               151           152           153           154           155 
      1   0.227803D+01  0.418701D+00 -0.204959D+01  0.126298D+01 -0.149480D+01
      2   0.418701D+00  0.632010D+00 -0.237574D+00 -0.149480D+01  0.224220D+01
      3  -0.204959D+01 -0.237574D+00  0.191851D+01  0.875440D+00 -0.768976D+00
               156           157           158           159           160 
      1   0.875440D+00 -0.185237D+01  0.185037D+01 -0.330227D+00  0.730185D+00
      2  -0.768976D+00  0.185037D+01 -0.551624D+01  0.223162D+01 -0.420958D+00
      3   0.130728D+01 -0.330227D+00  0.223162D+01 -0.216034D+01  0.641043D+00
               161           162           163           164           165 
      1  -0.420958D+00  0.641043D+00  0.904753D+00  0.723400D+00  0.117022D+01
      2   0.143548D+01 -0.113572D+01  0.723400D+00  0.133915D+01  0.554883D+00
      3  -0.113572D+01  0.108727D+01  0.117022D+01  0.554883D+00  0.150595D+01
               166           167           168           169           170 
      1   0.131403D+01  0.111985D+01  0.432444D+00  0.119345D+01  0.454233D+00
      2   0.111985D+01  0.267787D+01  0.181452D+01  0.454233D+00  0.158874D+01
      3   0.432444D+00  0.181452D+01  0.317459D+01  0.690669D+00  0.155298D+01
               171 
      1   0.690669D+00
      2   0.155298D+01
      3   0.317404D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.577301D+00 -0.703212D+01 -0.903019D+00 -0.626466D+01  0.194518D+01
      2  -0.241545D+01 -0.252338D+01  0.104552D+02 -0.195610D+01  0.101594D+02
      3  -0.188706D+01 -0.823478D+01  0.226649D+01 -0.428588D+01  0.472926D+01
                 6             7             8             9            10 
      1  -0.997364D+01 -0.105676D+01 -0.402595D+01 -0.275651D+00  0.159338D+01
      2   0.353554D+01  0.415330D+01  0.417835D+01 -0.419309D+01 -0.800369D+01
      3  -0.361554D+01  0.153026D+01 -0.241990D+01 -0.318370D+01  0.212094D+01
                11            12            13            14            15 
      1   0.531784D-01  0.900062D-01  0.473912D-01  0.616579D+00 -0.338642D+01
      2  -0.210525D+01  0.402849D+01  0.161307D+01 -0.235045D+01 -0.311300D+01
      3   0.301729D+01  0.166778D+01  0.899019D+01 -0.117697D+01  0.347349D+01
                16            17            18            19            20 
      1  -0.144180D+01  0.249675D+01 -0.203757D+01 -0.188765D+01  0.174979D+01
      2  -0.143241D+01 -0.216910D+01  0.474586D+01  0.157976D+01  0.494675D+00
      3  -0.144137D+01  0.274183D+01  0.392097D+01 -0.763521D+00 -0.356125D+01
                21            22            23            24            25 
      1  -0.966875D+00  0.399232D+01 -0.177496D+00  0.304487D+00  0.229768D+01
      2  -0.930854D+00 -0.969024D+00 -0.196579D+01  0.212674D+01 -0.741480D+01
      3   0.144285D-01  0.361249D+01 -0.683986D+00 -0.259464D+01  0.125865D+01
                26            27            28            29            30 
      1   0.394047D+01  0.253012D+01 -0.110971D+01 -0.433052D+01  0.577190D+00
      2  -0.134256D+01  0.312239D+01  0.114221D+02  0.408433D+01  0.225612D+01
      3  -0.972699D+00  0.158946D-01 -0.320343D+01 -0.754928D+01 -0.236926D+01
                31            32            33            34            35 
      1  -0.370485D+01  0.373106D+00  0.662214D+01  0.253760D+01  0.712754D+01
      2  -0.705729D+00  0.137613D+01 -0.743468D+00 -0.884937D+01 -0.246454D+01
      3  -0.620846D+01  0.859665D+01  0.221192D+01 -0.258875D+00  0.371194D+01
                36            37            38            39            40 
      1  -0.142476D+01 -0.781667D+00  0.365272D+01  0.590726D+00  0.284382D+01
      2  -0.884194D+01 -0.171371D+01 -0.133432D+01  0.518827D+01  0.216728D+00
      3  -0.105731D+00  0.201910D+01 -0.681965D+01  0.827776D+00 -0.151424D+01
                41            42            43            44            45 
      1   0.824567D+01  0.255605D+00 -0.996709D+00  0.484634D+01 -0.337579D+00
      2   0.325841D+01  0.305146D+01  0.224869D+01  0.977695D+00  0.878337D+01
      3  -0.127676D+02 -0.593181D+01 -0.172829D+01 -0.550167D+01  0.770835D+00
                46            47            48            49            50 
      1   0.314022D+01  0.254655D+01 -0.390055D+00  0.234650D+01  0.215789D+01
      2   0.985551D+01  0.118357D+01 -0.757547D+00  0.148352D+01  0.266289D+01
      3   0.611287D+01 -0.112230D+02 -0.440615D+01 -0.472952D+01 -0.591714D+01
                51            52            53            54            55 
      1   0.173851D+01 -0.237517D+01  0.692164D+01 -0.703433D+01  0.390699D+01
      2   0.447425D+01 -0.664035D+01  0.638374D+01 -0.130550D+02  0.303709D+01
      3  -0.529450D+01 -0.450068D+01 -0.484442D+01 -0.502099D+01 -0.362571D+01
                56            57            58            59            60 
      1  -0.343373D+01 -0.311721D+01 -0.340085D+01  0.341546D+01 -0.367276D+01
      2  -0.701847D+00  0.239097D+01 -0.894151D+00  0.404471D+01 -0.112823D+01
      3  -0.116466D+02 -0.427301D+01 -0.146400D+01 -0.647886D+01 -0.118039D+01
                61            62            63            64            65 
      1  -0.536167D+01  0.550032D+01  0.367363D+01  0.150620D+01  0.458171D+00
      2  -0.493555D+01  0.114859D+01  0.165933D+01 -0.355987D+01 -0.153870D+01
      3  -0.296871D+01 -0.589843D+00  0.413105D+01 -0.779105D+01  0.718484D+00
                66            67            68            69            70 
      1  -0.715838D+00 -0.914528D+00 -0.105639D+01 -0.125241D+02 -0.704692D+00
      2   0.149011D+01  0.326644D+01 -0.335225D+00  0.249599D+01 -0.141364D+01
      3   0.581187D+00  0.136750D+02 -0.157787D+02  0.144064D+01  0.953965D+00
                71            72            73            74            75 
      1  -0.267180D+00  0.581533D+00 -0.737655D+00  0.441629D+00 -0.179840D+00
      2   0.467957D+01  0.113374D+01 -0.142726D+01  0.624640D+00  0.182363D-01
      3  -0.229628D+00 -0.432584D+01  0.315753D+00 -0.478648D+00  0.495643D+00
                76            77            78            79            80 
      1  -0.104497D+00 -0.210822D+01  0.457817D+00 -0.906122D+00  0.466026D+01
      2   0.153987D+01 -0.608701D+00 -0.109232D+00 -0.366602D+01  0.798739D+00
      3   0.164413D+01 -0.102846D-01  0.792794D+00 -0.339741D+00  0.134765D+00
                81            82            83            84            85 
      1  -0.155332D+01 -0.461653D+00  0.617180D+00 -0.128001D+01  0.469212D+00
      2  -0.924859D-01  0.936459D+00  0.490906D+00  0.242300D+01 -0.155877D+01
      3  -0.349971D+00 -0.391471D+00 -0.412222D+01 -0.205922D+00  0.113397D+01
                86            87            88            89            90 
      1   0.106328D+01 -0.243805D+01 -0.270171D+00  0.139401D+01 -0.714621D+00
      2   0.129398D+01  0.344730D+01 -0.154468D+01  0.220351D+01  0.220613D+01
      3  -0.628306D+01 -0.280487D+01  0.166774D+01 -0.315670D+01 -0.234624D+01
                91            92            93            94            95 
      1  -0.110471D+00 -0.226396D+01  0.190121D+00 -0.226250D+01 -0.102586D+02
      2   0.196845D+01  0.485781D-01  0.601618D-01 -0.811192D+00 -0.166226D+01
      3   0.345092D-01  0.755827D+00  0.830262D+00  0.238010D+01  0.163463D+02
                96            97            98            99           100 
      1  -0.341010D+01 -0.529759D+00 -0.981113D+00  0.934465D+00  0.104366D+01
      2  -0.497777D+01 -0.861229D+00 -0.246621D+01 -0.166920D+00 -0.183472D+01
      3   0.394675D+01  0.380482D+00  0.297696D+01  0.231681D+01  0.871923D+01
               101           102           103           104           105 
      1   0.200077D+01 -0.198719D+01  0.482829D+00  0.259515D+01 -0.283821D+01
      2  -0.834959D+00  0.678513D+00 -0.151982D+01 -0.169236D+01 -0.195280D+00
      3   0.608337D+01  0.309809D+00  0.760847D+01  0.945101D+01  0.203273D+01
               106           107           108           109           110 
      1   0.221907D+00 -0.140298D-01  0.623429D+00 -0.338658D+01  0.108679D+01
      2   0.705368D-01 -0.182329D+00  0.392375D+00  0.505095D+00  0.455317D+00
      3  -0.725072D+00  0.349386D+00  0.220702D+00 -0.522258D+01  0.728821D+00
               111           112           113           114           115 
      1   0.607419D+01  0.494843D+00 -0.100004D+01 -0.180971D+01  0.467576D+01
      2   0.287280D+01 -0.583839D-01 -0.270977D+00 -0.835149D+00 -0.436516D+00
      3   0.321145D+01  0.144148D+01  0.174787D+00 -0.181654D+00  0.468936D+01
               116           117           118           119           120 
      1  -0.119186D+01 -0.594244D+01 -0.253208D+01  0.546847D-01  0.203883D+01
      2  -0.112976D+01 -0.276128D+01 -0.801022D+01  0.416807D+00  0.732878D+01
      3  -0.228156D+00 -0.395234D+01 -0.809431D+01 -0.436050D+01  0.208510D+01
               121           122           123           124           125 
      1   0.398623D+00 -0.561092D+00 -0.887449D+00  0.148117D+01  0.285238D+00
      2  -0.166985D+00 -0.166363D+01  0.365429D+00  0.385292D+01 -0.758199D+00
      3  -0.111229D+01 -0.702715D+00  0.136351D+01  0.198032D+01  0.245597D+01
               126           127           128           129           130 
      1  -0.816350D+00 -0.178424D+01 -0.104297D+01 -0.175443D+01 -0.111076D+01
      2  -0.252060D+01 -0.130429D+01 -0.703865D+00 -0.654494D+00 -0.650439D+00
      3  -0.587687D+00  0.116558D+02  0.484694D+01  0.257340D+01  0.717433D+01
               131           132           133           134           135 
      1  -0.367095D+01 -0.454044D+01 -0.486406D+00 -0.146341D+01 -0.208105D+01
      2  -0.258159D+01 -0.294901D+01 -0.143593D+01 -0.277825D+01 -0.139129D+01
      3   0.130093D+02  0.404149D+01  0.255593D+01  0.531199D+01  0.364697D+01
               136           137           138           139           140 
      1   0.581520D+00 -0.426434D+00  0.577413D+00 -0.503613D+00  0.169003D+00
      2   0.119350D+01 -0.536521D+00  0.174190D+01 -0.382547D+00  0.247410D+01
      3  -0.491263D-01  0.132422D+00 -0.938403D-01  0.138859D+01  0.262906D+01
               141           142           143           144           145 
      1  -0.204819D+01  0.707588D+00  0.143989D+01  0.827427D+01  0.106117D+01
      2  -0.313636D+01 -0.884049D+00 -0.420442D+01  0.170070D+02  0.792068D+01
      3  -0.222981D+01 -0.637735D+00 -0.408446D+01  0.419579D+01  0.480701D+01
               146           147           148           149           150 
      1  -0.216575D+01 -0.165906D+01 -0.398215D+00 -0.297988D+00  0.162150D+00
      2   0.391709D+00  0.204616D+01  0.976863D+00 -0.573806D+00 -0.279932D+00
      3  -0.311922D+01 -0.132871D+01  0.613486D+00 -0.744034D+00  0.875024D+00
               151           152           153           154           155 
      1  -0.933231D+00  0.198278D+01  0.108645D+01 -0.196458D+01  0.420779D+01
      2  -0.252225D+01 -0.600892D+00 -0.770912D-01 -0.479575D+01  0.378924D+01
      3  -0.131326D+01  0.124950D+01  0.139944D+01 -0.439808D+01  0.349400D+01
               156           157           158           159           160 
      1   0.115129D+01  0.378793D+01 -0.788250D+01 -0.109190D+01  0.618720D-01
      2  -0.174545D+01  0.477931D+01 -0.667078D+01  0.263258D+01 -0.310608D+01
      3  -0.142997D+01  0.661026D+01 -0.829906D+01  0.263194D+01 -0.140695D+01
               161           162           163           164           165 
      1   0.235103D+01 -0.576983D+00  0.250046D+01  0.382621D+01  0.166378D+01
      2   0.228136D+01 -0.190211D+01 -0.446359D+01 -0.239202D+01 -0.305262D+01
      3   0.188079D+01 -0.222496D+01  0.928934D+00  0.682429D+00 -0.651079D-01
               166           167           168           169           170 
      1   0.291090D+01  0.712302D+01  0.324249D+01  0.179108D+01  0.565280D+01
      2  -0.420266D+01 -0.489404D+01 -0.466186D+01 -0.477487D+01 -0.326939D+01
      3   0.263424D+01  0.262021D+01  0.191290D+01  0.303975D+00  0.121435D+01
               171 
      1   0.439937D+01
      2  -0.493834D+01
      3   0.147902D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129941D+02 -0.787763D+01  0.166714D+02 -0.722246D+01  0.181815D+02
      2   0.127259D+02  0.120771D+02 -0.861593D+01  0.108591D+02 -0.867540D+01
      3   0.268229D+00 -0.419949D+01 -0.805545D+01 -0.363660D+01 -0.950609D+01
      4  -0.104539D+02  0.485800D+01  0.711961D+01  0.595709D+01  0.175459D+01
      5   0.241089D+02  0.517607D+01 -0.117149D+02  0.353720D+01 -0.196633D+01
      6   0.835780D+01 -0.922193D+01 -0.337006D+01 -0.859451D+01  0.606530D+01
                 6             7             8             9            10 
      1   0.414858D+01  0.125694D+02  0.397374D+01 -0.729840D+01  0.976258D+01
      2   0.814092D+01 -0.609557D+01  0.667240D+01 -0.166865D+01 -0.114398D+02
      3  -0.122895D+02 -0.647385D+01 -0.106461D+02  0.896706D+01  0.167721D+01
      4   0.492952D+01  0.588715D+01  0.393753D+01  0.545354D+01 -0.444314D+01
      5   0.161496D+01 -0.877195D+01  0.345054D+01 -0.580357D+01 -0.104256D+02
      6  -0.717197D+01 -0.210699D+01 -0.507708D+01 -0.802271D+01 -0.558131D+01
                11            12            13            14            15 
      1   0.525836D+00 -0.862585D+01  0.323674D+01 -0.103200D+02 -0.143265D+01
      2  -0.114161D+01  0.350294D+01 -0.241267D+01 -0.257499D+00 -0.347194D+01
      3   0.615773D+00  0.512291D+01 -0.824067D+00  0.105775D+02  0.490459D+01
      4  -0.143852D+02 -0.481554D+01 -0.144833D+02 -0.809650D+01 -0.109642D+02
      5  -0.281170D+01 -0.153969D+01 -0.112914D+01 -0.123324D+02 -0.718913D+01
      6  -0.491783D+01 -0.950316D+00 -0.511486D+01 -0.502724D+01 -0.307734D+01
                16            17            18            19            20 
      1  -0.103944D+02 -0.115589D+01  0.270509D+01 -0.733191D+01 -0.674795D+01
      2   0.390569D+01 -0.197805D+01 -0.214352D+01  0.725331D+01  0.813440D+01
      3   0.648873D+01  0.313394D+01 -0.561567D+00  0.786019D-01 -0.138645D+01
      4  -0.261382D+01 -0.917640D+01 -0.103536D+02  0.534431D+01  0.318977D+00
      5  -0.258853D+01 -0.952501D+01  0.765649D+01  0.625360D+00 -0.134429D+01
      6  -0.189213D+01 -0.515240D+01 -0.171006D+00  0.426969D+01  0.471121D+01
                21            22            23            24            25 
      1   0.139029D+00 -0.343571D+01  0.328034D+01 -0.385030D+01  0.437523D+01
      2   0.252772D+00  0.355359D+01 -0.708440D+00 -0.469690D+01 -0.248393D+00
      3  -0.391801D+00 -0.117881D+00 -0.257190D+01  0.854719D+01 -0.412684D+01
      4   0.615567D+00 -0.410518D+01  0.879545D+01  0.120755D+01 -0.592609D+00
      5  -0.763706D+00 -0.164992D+01  0.275459D+01  0.444767D+01  0.196377D+01
      6   0.361549D+01  0.136050D+01 -0.270802D+00 -0.665517D+01 -0.593513D+00
                26            27            28            29            30 
      1  -0.608670D+01  0.736023D+01 -0.479350D+01  0.155266D+01 -0.627122D+00
      2  -0.595025D+00  0.125393D+02  0.120126D+01 -0.151610D+01  0.738395D+01
      3   0.668173D+01 -0.198996D+02  0.359224D+01 -0.365593D-01 -0.675683D+01
      4   0.326784D+01 -0.225978D+01  0.287406D+01  0.238590D+01  0.156106D+01
      5  -0.686760D+00 -0.866025D+00 -0.698440D+01  0.363369D+01 -0.202724D+01
      6   0.235486D+01  0.593088D+01 -0.153343D+01 -0.217391D+01  0.178637D+01
                31            32            33            34            35 
      1   0.665030D+01  0.192790D+02  0.828142D+00 -0.115284D+02  0.547530D+01
      2  -0.718376D+01 -0.354712D+02 -0.130150D+01  0.953631D+01 -0.101868D+01
      3   0.533464D+00  0.161922D+02  0.473362D+00  0.199209D+01 -0.445662D+01
      4  -0.150055D+02 -0.174828D+02  0.353627D+01  0.430401D+01 -0.354692D+00
      5   0.618246D+01  0.602952D+01 -0.620351D+00  0.154430D+00  0.154720D+01
      6   0.630101D+00  0.260444D+01 -0.111126D+02 -0.683043D+00  0.119480D+01
                36            37            38            39            40 
      1  -0.946416D+00  0.349692D+02 -0.206742D+01  0.716003D+01  0.220277D+01
      2  -0.184040D+01 -0.228417D+02  0.155797D+01 -0.955773D+01 -0.143707D+01
      3   0.278681D+01 -0.121275D+02  0.509445D+00  0.239770D+01 -0.765703D+00
      4   0.108827D+01 -0.262592D+01  0.826549D+01  0.593974D-01  0.129774D+02
      5  -0.831254D+01  0.141572D+02 -0.144815D+01  0.141467D+02  0.248811D+01
      6  -0.799161D+00  0.515744D+00  0.116222D+01 -0.235304D+01  0.489749D+00
                41            42            43            44            45 
      1   0.565539D+01  0.426617D+01  0.110069D+02 -0.381948D+00  0.300464D+01
      2  -0.172229D+01 -0.340282D+01 -0.109552D+02  0.873858D+00 -0.151138D+02
      3  -0.393310D+01 -0.863346D+00 -0.517249D-01 -0.491910D+00  0.121091D+02
      4   0.104586D+02  0.563988D+01 -0.268258D+01  0.401362D+01 -0.867069D+00
      5   0.592664D+01  0.278009D+01  0.156102D+02 -0.196492D+01  0.175368D+02
      6  -0.148301D+01  0.516671D+01  0.256613D+00  0.467790D+01 -0.256438D+00
                46            47            48            49            50 
      1  -0.359063D+02  0.487118D+01  0.170564D+02 -0.266317D+01  0.161023D+02
      2   0.191495D+02 -0.972386D+01 -0.970135D+01 -0.506665D+01 -0.953204D+01
      3   0.167567D+02  0.485268D+01 -0.735505D+01  0.772981D+01 -0.657026D+01
      4   0.319191D+01  0.119620D+02 -0.218631D+01  0.133499D+02 -0.382829D+01
      5   0.128925D+02  0.478012D+00 -0.505700D+00  0.796247D+00  0.967911D+01
      6  -0.500204D+01  0.413059D-01  0.378683D+00  0.864030D+00 -0.467348D+01
                51            52            53            54            55 
      1   0.294953D+01  0.207574D+02  0.135452D+01  0.441118D+01  0.104352D+02
      2  -0.876620D+01 -0.956090D+01 -0.838325D+01  0.598060D+01 -0.492261D+01
      3   0.581667D+01 -0.111965D+02  0.702872D+01 -0.103918D+02 -0.551255D+01
      4   0.609480D+01 -0.213341D+01  0.473196D+01  0.909397D+01 -0.381032D+01
      5   0.868617D+01 -0.331942D+01  0.101088D+02 -0.251410D+02  0.511990D+01
      6  -0.346888D+01  0.192692D+01 -0.389787D+01  0.121951D+02 -0.785493D+01
                56            57            58            59            60 
      1   0.118268D+02  0.247270D+01  0.797806D+01  0.199776D+01  0.211787D+01
      2  -0.203449D+02 -0.581331D+01 -0.146819D+02  0.337859D+01 -0.322122D+01
      3   0.851810D+01  0.334061D+01  0.670389D+01 -0.537636D+01  0.110335D+01
      4   0.218786D+01 -0.491445D+01  0.587460D+01 -0.171406D+02  0.233347D+01
      5  -0.339699D+01 -0.116523D+01 -0.211050D+01 -0.227492D+01 -0.501048D+00
      6  -0.289957D+01  0.551778D+01 -0.912063D+00 -0.477303D+01  0.414468D+01
                61            62            63            64            65 
      1  -0.481117D+00  0.284957D+01 -0.389180D+01  0.390792D+01  0.646888D+01
      2  -0.270528D+01 -0.522553D+01 -0.658853D+00  0.429012D+01 -0.287425D+01
      3   0.318640D+01  0.237597D+01  0.455065D+01 -0.819803D+01 -0.359464D+01
      4  -0.686446D+01  0.570873D+01  0.912000D+01  0.363078D+01  0.153676D+02
      5  -0.588716D+01  0.476126D+01  0.921480D+01 -0.945784D+00 -0.219345D+01
      6   0.108323D+02 -0.318217D+01 -0.699318D+01 -0.932426D+00 -0.132100D+01
                66            67            68            69            70 
      1   0.336282D+00  0.341376D+01 -0.349790D+02  0.235268D+01  0.638782D+00
      2  -0.132884D+01  0.169449D+01  0.647045D+02 -0.215524D+01 -0.200243D+01
      3   0.992553D+00 -0.510826D+01 -0.297255D+02 -0.197441D+00  0.136365D+01
      4  -0.209291D+01  0.215276D+02  0.323850D+02 -0.361427D+01 -0.200242D+01
      5   0.428261D+01 -0.163439D+01 -0.704461D+01  0.713551D+01  0.454088D+01
      6   0.885156D+00 -0.195033D+01 -0.412052D+01  0.179552D+02  0.159024D+01
                71            72            73            74            75 
      1  -0.177536D+00 -0.747875D+01  0.626397D+00  0.450789D+00 -0.746050D+00
      2  -0.134193D+01  0.606319D+01 -0.483998D+01  0.119553D+00 -0.102565D+01
      3   0.151946D+01  0.141556D+01  0.421359D+01 -0.570342D+00  0.177170D+01
      4  -0.202157D+01  0.632410D+01  0.646474D-01  0.132086D+01 -0.684614D+00
      5   0.707668D+01 -0.236517D+01  0.106967D+01 -0.153052D+01  0.599238D+01
      6   0.151341D+02 -0.236908D+01 -0.196822D+01  0.417405D-01 -0.164860D+00
                76            77            78            79            80 
      1   0.302845D+00 -0.401068D+01  0.453802D+01 -0.419528D+00  0.309726D+01
      2   0.811823D+00 -0.131449D+01  0.415420D+01 -0.181049D+01  0.462125D+01
      3  -0.111467D+01  0.532517D+01 -0.869222D+01  0.223001D+01 -0.771851D+01
      4   0.201269D+01  0.661295D+00 -0.151741D+00 -0.180120D+00 -0.185899D+01
      5  -0.116477D+01  0.277173D+00 -0.202749D+00  0.505962D+01  0.188913D-01
      6   0.805206D+00 -0.425318D+01  0.795272D+01 -0.105674D+01  0.633174D+01
                81            82            83            84            85 
      1  -0.177872D+02  0.983952D+01  0.477175D+01  0.483569D+01  0.433343D+01
      2  -0.181931D+02 -0.246828D+01 -0.106227D+00 -0.196633D+01  0.136188D+01
      3   0.359803D+02 -0.737124D+01 -0.466552D+01 -0.286936D+01 -0.569530D+01
      4   0.745234D+00  0.120120D+02  0.137874D+02  0.573406D+01  0.143466D+02
      5  -0.724510D-01  0.822614D+01  0.500353D+01  0.770104D+01  0.519649D+01
      6  -0.535393D+01  0.436213D+01  0.393835D+01  0.370599D+01  0.435466D+01
                86            87            88            89            90 
      1  -0.649568D+00 -0.125290D+00  0.443319D+01 -0.109613D+01 -0.522517D+00
      2   0.104459D+02  0.334111D+01 -0.235489D+01  0.207066D+01 -0.122796D+01
      3  -0.979633D+01 -0.321582D+01 -0.207830D+01 -0.974522D+00  0.175048D+01
      4   0.207331D+02  0.878390D+01  0.551227D+01  0.894918D+01  0.874870D+01
      5   0.827810D+01  0.767653D+01  0.823821D+01  0.796420D+01  0.835876D+01
      6   0.102542D+02  0.835286D+01  0.397716D+01  0.906804D+01  0.772719D+01
                91            92            93            94            95 
      1   0.297012D+01 -0.280320D+01  0.660173D-01 -0.102534D+02 -0.269774D+01
      2  -0.452815D+00  0.410050D+00  0.152771D+01  0.616099D+01  0.262270D+01
      3  -0.251731D+01  0.239315D+01 -0.159373D+01  0.409243D+01  0.750389D-01
      4  -0.495282D+01  0.132152D+01 -0.197988D+01  0.132410D+01 -0.162753D+02
      5  -0.493164D+00 -0.198195D+01 -0.869288D-01 -0.717780D+01 -0.868631D+00
      6  -0.861234D+00  0.168637D+01 -0.994535D+00  0.313316D+01 -0.219448D+01
                96            97            98            99           100 
      1  -0.468157D+01 -0.215138D+01 -0.636354D+00 -0.153143D+01 -0.505234D+01
      2   0.555195D+01  0.158858D+01  0.541430D-01  0.155192D+01  0.860561D+01
      3  -0.870383D+00  0.562799D+00  0.582211D+00 -0.204920D-01 -0.355327D+01
      4   0.259967D+00 -0.304545D+01 -0.452742D-01 -0.310025D+01  0.785919D+01
      5  -0.785537D+01  0.635002D+00 -0.294412D+01  0.917889D+00  0.325548D+01
      6   0.275616D+01 -0.198859D+00  0.271921D+01 -0.290891D+01  0.228296D+01
               101           102           103           104           105 
      1  -0.119267D+02 -0.227065D+01 -0.771585D+01 -0.204255D+02 -0.424544D+01
      2   0.183482D+02  0.172873D+01  0.109191D+02  0.312516D+02  0.378065D+01
      3  -0.642155D+01  0.541923D+00 -0.320326D+01 -0.108260D+02  0.464791D+00
      4   0.758950D+01  0.281137D+00  0.708981D+01  0.569361D+01  0.119065D-01
      5   0.248185D+01  0.851703D+00  0.273405D+01  0.207784D+01 -0.642028D+00
      6   0.724815D+01  0.352225D+01  0.350668D+01  0.118145D+02  0.689677D+01
               106           107           108           109           110 
      1   0.100601D+01 -0.183566D+01 -0.180294D+01  0.425222D+01  0.919469D+00
      2  -0.551903D+00  0.150744D+01  0.175838D+01 -0.450051D+01 -0.156523D+01
      3  -0.454109D+00  0.328224D+00  0.445610D-01  0.248291D+00  0.645758D+00
      4   0.565906D-01 -0.291717D+00  0.457283D+00 -0.124319D+02  0.810675D+01
      5   0.213024D+01  0.174365D+00  0.647496D+00 -0.133121D+02  0.662849D+01
      6   0.156915D+00  0.532214D+01  0.184756D+01  0.106123D+02 -0.789521D+01
               111           112           113           114           115 
      1  -0.303809D+00  0.114085D+01 -0.381564D+01 -0.293823D+01  0.444149D+00
      2   0.403127D+01 -0.202440D+01  0.439220D+01  0.296379D+01  0.423248D+01
      3  -0.372746D+01  0.883553D+00 -0.576558D+00 -0.255575D-01 -0.467663D+01
      4   0.900059D+01  0.580928D+01 -0.515733D+01 -0.438602D+01  0.104529D+02
      5   0.127108D+02  0.266672D+01 -0.446059D+01 -0.304521D+01  0.139048D+02
      6  -0.123283D+02 -0.496427D+01  0.717099D+01  0.793407D+01 -0.124860D+02
               116           117           118           119           120 
      1  -0.471464D+01 -0.426573D+01  0.661151D+02 -0.592930D+01 -0.104806D+02
      2   0.268253D+01 -0.447486D+01 -0.326957D+02  0.109532D+01  0.525916D+01
      3   0.203210D+01  0.874059D+01 -0.334195D+02  0.483398D+01  0.522141D+01
      4  -0.713005D+01 -0.107779D+02 -0.169775D+02  0.107910D+02  0.213488D+01
      5  -0.715995D+01 -0.145759D+02 -0.595620D+01 -0.269102D-01  0.107442D+02
      6   0.120032D+02  0.164279D+02  0.307520D+01 -0.191828D-01 -0.327704D+01
               121           122           123           124           125 
      1   0.406041D+01  0.421451D+01 -0.857175D+00 -0.172355D+02  0.175409D+01
      2  -0.349748D+01 -0.619363D+00  0.157371D+01  0.891489D+01  0.714545D+00
      3  -0.562926D+00 -0.359515D+01 -0.716531D+00  0.832064D+01 -0.246864D+01
      4   0.702808D+01 -0.677701D+00 -0.270507D+01  0.506247D+01 -0.443052D+01
      5  -0.105417D+00 -0.236346D+01  0.588181D+00  0.101518D+02 -0.168990D+01
      6  -0.295614D+00  0.846286D+00  0.120846D+01 -0.260742D+01  0.162151D+01
               126           127           128           129           130 
      1   0.741357D+01 -0.347951D+01 -0.543483D+01 -0.399375D+01 -0.735191D+01
      2  -0.564325D+01  0.413673D+01  0.726364D+01  0.283408D+01  0.619355D+01
      3  -0.177033D+01 -0.657222D+00 -0.182881D+01  0.115968D+01  0.115836D+01
      4  -0.256063D+01  0.684751D+01 -0.322466D+01  0.100257D+01  0.334249D+01
      5  -0.410938D+01 -0.311790D+01 -0.907718D+00 -0.190700D+01 -0.168851D+01
      6   0.559942D+00  0.186088D+01  0.829610D+00  0.240043D+01  0.766522D+00
               131           132           133           134           135 
      1  -0.149988D+02 -0.436420D+01 -0.590922D+01 -0.426080D+01 -0.522197D+01
      2   0.245930D+02  0.704249D+01  0.317702D+01  0.765337D+01  0.339354D+01
      3  -0.959423D+01 -0.267829D+01  0.273219D+01 -0.339257D+01  0.182843D+01
      4  -0.144902D+02 -0.328598D+01  0.266238D+01 -0.638255D+01 -0.350192D+01
      5  -0.519906D+01 -0.626623D+01  0.250577D+00 -0.507184D+01 -0.173348D+01
      6   0.420498D+01  0.617227D+01  0.805454D+00  0.597169D+01  0.328017D+01
               136           137           138           139           140 
      1   0.533803D+01 -0.193020D+01  0.315872D+01 -0.283624D+00 -0.456815D+01
      2  -0.466488D+01  0.151219D+01 -0.225771D+01  0.503625D+00  0.301655D+01
      3  -0.673155D+00  0.418009D+00 -0.901005D+00 -0.220001D+00  0.155160D+01
      4  -0.280180D+01  0.135787D+01 -0.271116D+01  0.240840D+01 -0.457438D+01
      5   0.446713D+01 -0.221214D+01  0.766041D+01 -0.226635D+01  0.518449D+01
      6  -0.175622D+01  0.798931D+00 -0.156345D+01  0.170502D+01 -0.487288D+01
               141           142           143           144           145 
      1   0.225512D+01  0.588574D+01  0.229014D+01 -0.937499D+01  0.329811D+02
      2  -0.966852D+00 -0.539045D+01 -0.329140D+00 -0.132137D+02 -0.226896D+02
      3  -0.128827D+01 -0.495285D+00 -0.196100D+01  0.225887D+02 -0.102915D+02
      4   0.556528D+01 -0.646240D+01  0.886017D+01 -0.915524D+01  0.151049D+02
      5  -0.664376D+01  0.130227D+02 -0.107907D+02  0.358118D+02 -0.332344D+02
      6   0.926352D+01 -0.376636D+01  0.105348D+02 -0.187655D+02 -0.685646D+01
               146           147           148           149           150 
      1   0.292162D+01 -0.916462D+01  0.250781D+01  0.111462D+01 -0.436187D+00
      2  -0.127511D+01  0.128848D+02 -0.974419D+00 -0.111398D+00 -0.573700D+00
      3  -0.164651D+01 -0.372020D+01 -0.153339D+01 -0.100322D+01  0.100989D+01
      4   0.921861D+01 -0.762305D+01  0.771478D+01  0.395198D+01 -0.421306D+01
      5  -0.578958D+01  0.228145D+02 -0.361118D+01 -0.431051D+01  0.210506D+01
      6  -0.528637D+01  0.616765D+01 -0.346139D+01 -0.309793D+01  0.464159D+01
               151           152           153           154           155 
      1  -0.578480D+01 -0.624681D+00  0.404205D+01 -0.389100D+01  0.822270D+01
      2   0.872148D+01  0.245954D+00 -0.916956D+01  0.335193D+01 -0.812750D+01
      3  -0.293668D+01  0.378727D+00  0.512751D+01  0.539062D+00 -0.951996D-01
      4  -0.485600D+01 -0.308402D+01  0.394612D+01 -0.116462D+01  0.932672D+00
      5   0.166796D+02  0.267546D+01 -0.136840D+02  0.141292D+01 -0.275768D+01
      6   0.422929D+01  0.395760D+01 -0.356928D+01 -0.484467D+01  0.847388D+01
               156           157           158           159           160 
      1  -0.664850D+01  0.762392D+01 -0.199835D+02  0.855668D+01 -0.377432D+01
      2   0.163898D+01 -0.763879D+01  0.221817D+02 -0.376344D+01  0.114632D+01
      3   0.500953D+01  0.148733D-01 -0.219817D+01 -0.479324D+01  0.262801D+01
      4  -0.460493D+00  0.258711D+01  0.614831D+01 -0.369640D+01 -0.944030D+00
      5   0.172284D+01 -0.460457D+01  0.533209D+00  0.216978D+01  0.294302D+01
      6  -0.503661D+01  0.570449D+01 -0.196513D+02  0.128781D+02 -0.321969D+01
               161           162           163           164           165 
      1   0.594514D+01 -0.672517D+01 -0.218437D+01 -0.124366D+01 -0.665933D+01
      2  -0.289262D+01  0.192655D+01 -0.198077D+01 -0.212907D+01 -0.196555D+01
      3  -0.305252D+01  0.479862D+01  0.416514D+01  0.337273D+01  0.862488D+01
      4  -0.144873D+01  0.412405D+00  0.160844D+00 -0.854996D+00 -0.142265D+01
      5  -0.177506D+00  0.523311D+00  0.916399D+00  0.161727D+01  0.275284D+01
      6   0.991193D+01 -0.647056D+01  0.185425D+01  0.480323D+01  0.205844D+01
               166           167           168           169           170 
      1  -0.281018D+01 -0.758155D+01 -0.816030D+01 -0.462609D+01 -0.484797D+01
      2  -0.570047D+00  0.234915D+00 -0.607188D+01 -0.735301D+00 -0.441048D+01
      3   0.338022D+01  0.734664D+01  0.142322D+02  0.536139D+01  0.925845D+01
      4  -0.582558D+00 -0.543055D+01 -0.356380D+01 -0.156047D+01 -0.324452D+01
      5   0.354127D+01  0.798738D-01 -0.423808D+01  0.445553D+01 -0.338510D+00
      6   0.375491D+01  0.100750D+02  0.783253D+01  0.226402D+01  0.781326D+01
               171 
      1  -0.986921D+01
      2  -0.764568D+01
      3   0.175149D+02
      4  -0.281319D+01
      5  -0.222183D+01
      6   0.632899D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:06:36 2021, MaxMem=  5368709120 cpu:            8486.0 elap:            1062.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30054 -19.24536 -14.47121 -10.42720 -10.35564
 Alpha  occ. eigenvalues --  -10.32568 -10.29700 -10.28995  -1.19309  -1.10916
 Alpha  occ. eigenvalues --   -1.01694  -0.90569  -0.80086  -0.78520  -0.70015
 Alpha  occ. eigenvalues --   -0.68685  -0.61564  -0.60387  -0.58896  -0.56415
 Alpha  occ. eigenvalues --   -0.53102  -0.52627  -0.51107  -0.49140  -0.47516
 Alpha  occ. eigenvalues --   -0.46374  -0.43769  -0.43187  -0.42893  -0.40071
 Alpha  occ. eigenvalues --   -0.38432  -0.34848
 Alpha virt. eigenvalues --    0.06815   0.07691   0.10008   0.10575   0.10926
 Alpha virt. eigenvalues --    0.13447   0.14372   0.14999   0.15206   0.16702
 Alpha virt. eigenvalues --    0.18565   0.18918   0.19475   0.19845   0.20224
 Alpha virt. eigenvalues --    0.21090   0.22080   0.22628   0.23521   0.24522
 Alpha virt. eigenvalues --    0.25132   0.25801   0.26574   0.27373   0.27783
 Alpha virt. eigenvalues --    0.28903   0.29408   0.30194   0.30892   0.32709
 Alpha virt. eigenvalues --    0.34010   0.34353   0.35225   0.35387   0.36058
 Alpha virt. eigenvalues --    0.36599   0.38043   0.38455   0.39406   0.39934
 Alpha virt. eigenvalues --    0.40389   0.40707   0.41776   0.42305   0.42427
 Alpha virt. eigenvalues --    0.43382   0.44241   0.45076   0.45236   0.45802
 Alpha virt. eigenvalues --    0.46399   0.46658   0.47299   0.48375   0.48875
 Alpha virt. eigenvalues --    0.49087   0.50945   0.51623   0.52292   0.53292
 Alpha virt. eigenvalues --    0.53762   0.54820   0.55177   0.55867   0.56112
 Alpha virt. eigenvalues --    0.56931   0.57554   0.58106   0.58594   0.59547
 Alpha virt. eigenvalues --    0.59806   0.60593   0.60905   0.61758   0.62527
 Alpha virt. eigenvalues --    0.63896   0.64121   0.64338   0.65549   0.66366
 Alpha virt. eigenvalues --    0.67118   0.67484   0.68655   0.69334   0.70722
 Alpha virt. eigenvalues --    0.71177   0.72518   0.73775   0.74410   0.75476
 Alpha virt. eigenvalues --    0.76760   0.77321   0.78757   0.79037   0.81585
 Alpha virt. eigenvalues --    0.82395   0.84273   0.85345   0.86413   0.87098
 Alpha virt. eigenvalues --    0.88924   0.90554   0.91339   0.92663   0.94848
 Alpha virt. eigenvalues --    0.98487   0.99366   1.00700   1.02006   1.02591
 Alpha virt. eigenvalues --    1.06704   1.08417   1.10365   1.10910   1.11281
 Alpha virt. eigenvalues --    1.12529   1.13500   1.14486   1.17162   1.17723
 Alpha virt. eigenvalues --    1.19830   1.22089   1.22851   1.25085   1.26815
 Alpha virt. eigenvalues --    1.28387   1.30717   1.32560   1.33133   1.38034
 Alpha virt. eigenvalues --    1.40175   1.44396   1.45446   1.47922   1.49030
 Alpha virt. eigenvalues --    1.51486   1.53546   1.55420   1.58888   1.62434
 Alpha virt. eigenvalues --    1.67253   1.68779   1.70360   1.73355   1.75122
 Alpha virt. eigenvalues --    1.77203   1.79553   1.80733   1.82053   1.83257
 Alpha virt. eigenvalues --    1.85582   1.86973   1.87735   1.89583   1.90951
 Alpha virt. eigenvalues --    1.91790   1.94147   1.95769   1.97381   1.99451
 Alpha virt. eigenvalues --    2.01589   2.04099   2.04465   2.06833   2.07133
 Alpha virt. eigenvalues --    2.11634   2.13030   2.14200   2.15118   2.16903
 Alpha virt. eigenvalues --    2.17771   2.18547   2.21539   2.22850   2.23838
 Alpha virt. eigenvalues --    2.24929   2.27594   2.31099   2.34283   2.36915
 Alpha virt. eigenvalues --    2.37575   2.40770   2.41872   2.44821   2.46165
 Alpha virt. eigenvalues --    2.48291   2.50700   2.52036   2.55002   2.58450
 Alpha virt. eigenvalues --    2.61947   2.64200   2.67372   2.69439   2.73607
 Alpha virt. eigenvalues --    2.74376   2.76384   2.78807   2.85618   2.91986
 Alpha virt. eigenvalues --    2.95922   3.00498   3.01614   3.06574   3.08399
 Alpha virt. eigenvalues --    3.09009   3.11333   3.16793   3.19596   3.20666
 Alpha virt. eigenvalues --    3.22875   3.26318   3.27857   3.30704   3.33167
 Alpha virt. eigenvalues --    3.38310   3.48832   3.55899   3.67384   3.73278
 Alpha virt. eigenvalues --    3.92793   4.05818
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.182899   0.360617   0.021244  -0.060237  -0.000700  -0.033129
     2  C    0.360617   6.052746   0.068480   0.089647  -0.011973   0.300819
     3  C    0.021244   0.068480   6.026858  -0.572171   0.050822   0.002950
     4  C   -0.060237   0.089647  -0.572171   5.968414  -0.143944  -0.071973
     5  O   -0.000700  -0.011973   0.050822  -0.143944   8.332397   0.012204
     6  C   -0.033129   0.300819   0.002950  -0.071973   0.012204   4.318541
     7  N   -0.023700  -0.058678  -0.305586   0.106099  -0.085127   0.018575
     8  O    0.012346  -0.051500   0.118905  -0.034483   0.067953  -0.008136
     9  H    0.029466  -0.018684   0.161178   0.001134  -0.002943  -0.057396
    10  H   -0.042224   0.315405  -0.117642   0.048087  -0.003064  -0.085370
    11  H    0.004197  -0.037726  -0.056912   0.139404   0.168135  -0.000393
    12  H   -0.001120  -0.010963   0.088392  -0.028580   0.011528   0.001250
    13  H    0.000755   0.023334   0.176810  -0.002992   0.008141  -0.001218
    14  H   -0.005876   0.133256   0.022417   0.004899  -0.001552   0.168457
    15  H   -0.013373   0.242110  -0.077791   0.052968  -0.006064   0.096469
    16  H    0.003102   0.024273  -0.029804  -0.024272   0.001262   0.389739
    17  H    0.177218   0.144234   0.031691  -0.013054   0.005406   0.011813
    18  H    0.332181   0.050057  -0.015196  -0.024456  -0.007298  -0.001382
    19  H    0.170585   0.136301  -0.073374   0.087199  -0.007455  -0.027526
               7          8          9         10         11         12
     1  C   -0.023700   0.012346   0.029466  -0.042224   0.004197  -0.001120
     2  C   -0.058678  -0.051500  -0.018684   0.315405  -0.037726  -0.010963
     3  C   -0.305586   0.118905   0.161178  -0.117642  -0.056912   0.088392
     4  C    0.106099  -0.034483   0.001134   0.048087   0.139404  -0.028580
     5  O   -0.085127   0.067953  -0.002943  -0.003064   0.168135   0.011528
     6  C    0.018575  -0.008136  -0.057396  -0.085370  -0.000393   0.001250
     7  N    7.761966  -0.019389  -0.133707  -0.014855  -0.017708  -0.044992
     8  O   -0.019389   8.444182  -0.006145  -0.001204  -0.018813   0.002168
     9  H   -0.133707  -0.006145   1.219780   0.021143   0.019595   0.082667
    10  H   -0.014855  -0.001204   0.021143   1.238440   0.004448  -0.027512
    11  H   -0.017708  -0.018813   0.019595   0.004448   0.515718   0.000604
    12  H   -0.044992   0.002168   0.082667  -0.027512   0.000604   0.893960
    13  H    0.022284   0.001686  -0.074775   0.003037  -0.019979  -0.093465
    14  H   -0.000305   0.000714   0.004902   0.030007   0.000224  -0.000252
    15  H    0.002471   0.000147  -0.001610   0.003377  -0.000609  -0.000068
    16  H   -0.000080  -0.003621   0.013599  -0.034780   0.000378   0.000820
    17  H    0.004425   0.002928  -0.002167  -0.014853  -0.000575   0.001707
    18  H   -0.027306   0.002855   0.002018  -0.004702  -0.001823   0.009529
    19  H    0.006260  -0.024703   0.000335   0.019774   0.001590  -0.003277
              13         14         15         16         17         18
     1  C    0.000755  -0.005876  -0.013373   0.003102   0.177218   0.332181
     2  C    0.023334   0.133256   0.242110   0.024273   0.144234   0.050057
     3  C    0.176810   0.022417  -0.077791  -0.029804   0.031691  -0.015196
     4  C   -0.002992   0.004899   0.052968  -0.024272  -0.013054  -0.024456
     5  O    0.008141  -0.001552  -0.006064   0.001262   0.005406  -0.007298
     6  C   -0.001218   0.168457   0.096469   0.389739   0.011813  -0.001382
     7  N    0.022284  -0.000305   0.002471  -0.000080   0.004425  -0.027306
     8  O    0.001686   0.000714   0.000147  -0.003621   0.002928   0.002855
     9  H   -0.074775   0.004902  -0.001610   0.013599  -0.002167   0.002018
    10  H    0.003037   0.030007   0.003377  -0.034780  -0.014853  -0.004702
    11  H   -0.019979   0.000224  -0.000609   0.000378  -0.000575  -0.001823
    12  H   -0.093465  -0.000252  -0.000068   0.000820   0.001707   0.009529
    13  H    0.900857  -0.000139  -0.000116  -0.000635  -0.000099   0.004349
    14  H   -0.000139   0.692070  -0.013372  -0.048569   0.014417   0.001609
    15  H   -0.000116  -0.013372   0.742276  -0.059331  -0.020338  -0.002711
    16  H   -0.000635  -0.048569  -0.059331   0.723037   0.005440  -0.002670
    17  H   -0.000099   0.014417  -0.020338   0.005440   0.816775  -0.100166
    18  H    0.004349   0.001609  -0.002711  -0.002670  -0.100166   0.806183
    19  H   -0.000452  -0.013643   0.032282  -0.002557  -0.039597  -0.007507
              19
     1  C    0.170585
     2  C    0.136301
     3  C   -0.073374
     4  C    0.087199
     5  O   -0.007455
     6  C   -0.027526
     7  N    0.006260
     8  O   -0.024703
     9  H    0.000335
    10  H    0.019774
    11  H    0.001590
    12  H   -0.003277
    13  H   -0.000452
    14  H   -0.013643
    15  H    0.032282
    16  H   -0.002557
    17  H   -0.039597
    18  H   -0.007507
    19  H    0.652719
 Mulliken charges:
               1
     1  C    0.885749
     2  C   -1.751756
     3  C    0.478727
     4  C    0.478311
     5  O   -0.387728
     6  C    0.965705
     7  N   -0.190649
     8  O   -0.485891
     9  H   -0.258389
    10  H   -0.337511
    11  H    0.300245
    12  H    0.117604
    13  H    0.052617
    14  H    0.010737
    15  H    0.023284
    16  H    0.044668
    17  H   -0.025205
    18  H   -0.013564
    19  H    0.093046
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.940027
     2  C   -2.089267
     3  C    0.220338
     4  C    0.478311
     5  O   -0.087483
     6  C    1.044394
     7  N   -0.020429
     8  O   -0.485891
 Electronic spatial extent (au):  <R**2>=            985.6173
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.0032    Y=             -4.5812    Z=             -1.8538  Tot=              5.3326
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.3746   YY=            -52.8289   ZZ=            -47.7400
   XY=             -4.6241   XZ=             -3.2816   YZ=              2.2421
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.7267   YY=             -2.1811   ZZ=              2.9078
   XY=             -4.6241   XZ=             -3.2816   YZ=              2.2421
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.4608  YYY=            -22.2592  ZZZ=             -5.9635  XYY=             -1.8856
  XXY=             -8.1104  XXZ=             -5.4969  XZZ=              5.1204  YZZ=             -3.7188
  YYZ=             -3.5200  XYZ=              1.0894
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -626.5781 YYYY=           -405.1157 ZZZZ=           -243.0185 XXXY=            -10.6220
 XXXZ=            -14.5391 YYYX=            -11.5229 YYYZ=             19.7335 ZZZX=             -3.1834
 ZZZY=              7.3732 XXYY=           -173.8290 XXZZ=           -142.3833 YYZZ=           -101.3850
 XXYZ=              1.3331 YYXZ=             -1.5064 ZZXY=             -7.6429
 N-N= 4.132481382607D+02 E-N=-1.763068221016D+03  KE= 3.977772737441D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:06:37 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8901   -0.8910       -1.2878   -1.2859
 2      0.8901    0.8910        0.6911    0.6911        1.0632    1.0669
 3      1.2878    1.2859        3.7545    3.7518       -0.6914   -0.6911
 4     -0.6911   -0.6911       -0.0000    0.0000        1.2859    1.2859
 5     -4.8178   -4.8187       -1.2859   -1.2859       -0.8900   -0.8910
 6      0.6914    0.6911        0.8900    0.8910       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.6730    2.6730       -3.8578   -3.8578
 2     -2.0732   -2.0732       -0.0000    0.0000       -3.8578   -3.8578
 3     -2.0732   -2.0732        2.6730    2.6730        0.0000    0.0000
 4      2.6730    2.6730        2.0732    2.0732        3.2008    3.2008
 5      3.8578    3.8578       11.2554   11.2554       -2.0732   -2.0732
 6    -14.4562  -14.4562       -3.8578   -3.8578       -2.6730   -2.6730
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0969    0.0000        4.3715    3.5640        3.7124    5.1437
 2     -3.5244   -3.5640       -2.5417   -2.7643       -4.4232   -4.2677
 3     -5.1882   -5.1437      -14.8830  -15.0073        2.4609    2.7643
 4      2.4626    2.7643        0.1461    0.0000       -4.8815   -5.1437
 5     19.1912   19.2750        5.2897    5.1437        3.5869    3.5640
 6     -2.8239   -2.7643       -3.5124   -3.5640       -0.0125    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2392    0.0000       -3.2081   -2.8086      -11.4173  -12.2812
 2      2.3698    2.8086      -13.3391  -14.1375       -7.8121   -7.8740
 3     12.8088   12.2812        5.6591    3.5322        9.4857   14.1375
 4     13.8166   14.1375        0.2214    0.0000       11.8524   12.2812
 5      4.9388    4.3418      -12.8465  -12.2812       -2.8352   -2.8086
 6    -14.0254  -14.1375        2.9718    2.8086       -0.3370    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      7.7426    7.6765       -8.7314   -8.7858       26.8700   26.6876
 2     25.8468   26.0635      -14.0349  -14.0006       27.1191   26.6876
 3     25.5314   26.0635       -8.5443   -8.7858       35.3795   35.7953
 4      4.8751    5.2149      -17.8023  -18.3869       -7.5603   -6.7767
 5      9.8403    9.1077       12.5622   10.3005       13.3277   18.3869
 6     -2.7440   -3.5238       -8.9656   -9.1077       -6.2023   -5.2149
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.8605                 0.5532                 0.5164
  Dep-P Fr= 1--      0.7498                 0.7258                 0.6728
  Dep-U Fr= 1--      0.8570                 0.8411                 0.8044
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0007
 Beta2  Fr= 1--      0.1229                 0.0776                 0.0692
 AlphaG Fr= 1--      0.0001                -0.0007                 0.0013
 Gamma2 Fr= 1--     -0.2770                 0.2014                 0.1549
 Delta2 Fr= 1--     -0.2447                 0.1661                 0.0856
 Raman1 Fr= 1--       3.442                  2.213                  2.066
 ROA1   Fr= 1--     -34.424                 24.649                 17.613
 CID1   Fr= 1--     -10.001                 11.138                  8.527
 Raman2 Fr= 1--       1.475                  0.931                  0.831
 ROA2   Fr= 1--      -4.691                  3.505                  3.033
 CID2   Fr= 1--      -3.181                  3.766                  3.652
 Raman3 Fr= 1--       2.950                  1.861                  1.661
 ROA3   Fr= 1--     -34.424                 24.649                 17.613
 CID3   Fr= 1--     -11.670                 13.242                 10.601
 RC180  Fr= 1--       0.714                  0.682                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.3934                 0.5027                 0.2635
  Dep-P Fr= 1--      0.3971                 0.2853                 0.4355
  Dep-U Fr= 1--      0.5685                 0.4440                 0.6067
 Alpha2 Fr= 1--      0.0029                 0.0054                 0.0017
 Beta2  Fr= 1--      0.0373                 0.0372                 0.0266
 AlphaG Fr= 1--      0.0045                -0.0095                -0.0016
 Gamma2 Fr= 1--      0.0457                -0.1983                -0.1510
 Delta2 Fr= 1--      0.0291                -0.0285                -0.0198
 Raman1 Fr= 1--       1.573                  2.011                  1.054
 ROA1   Fr= 1--       5.314                -19.950                -15.129
 CID1   Fr= 1--       3.377                 -9.921                -14.352
 Raman2 Fr= 1--       0.447                  0.446                  0.320
 ROA2   Fr= 1--       0.863                 -4.532                 -3.466
 CID2   Fr= 1--       1.930                -10.153                -10.839
 Raman3 Fr= 1--       0.894                  0.893                  0.640
 ROA3   Fr= 1--       5.314                -19.950                -15.129
 CID3   Fr= 1--       5.941                -22.346                -23.655
 RC180  Fr= 1--       0.137                 -0.112                  0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1865                 0.4647                 1.0112
  Dep-P Fr= 1--      0.6444                 0.3412                 0.6336
  Dep-U Fr= 1--      0.7838                 0.5088                 0.7757
 Alpha2 Fr= 1--      0.0004                 0.0042                 0.0021
 Beta2  Fr= 1--      0.0244                 0.0394                 0.1307
 AlphaG Fr= 1--      0.0044                 0.0011                -0.0001
 Gamma2 Fr= 1--      0.0673                 0.1144                -0.2060
 Delta2 Fr= 1--      0.1002                 0.1697                 0.0033
 Raman1 Fr= 1--       0.746                  1.859                  4.045
 ROA1   Fr= 1--       9.663                 16.414                -19.674
 CID1   Fr= 1--      12.954                  8.830                 -4.864
 Raman2 Fr= 1--       0.292                  0.473                  1.569
 ROA2   Fr= 1--       0.813                  1.388                 -4.972
 CID2   Fr= 1--       2.782                  2.934                 -3.169
 Raman3 Fr= 1--       0.585                  0.946                  3.138
 ROA3   Fr= 1--       9.663                 16.414                -19.674
 CID3   Fr= 1--      16.528                 17.353                 -6.270
 RC180  Fr= 1--       0.568                  0.018                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.0495                 0.4347                 5.1931
  Dep-P Fr= 1--      0.7414                 0.7327                 0.0690
  Dep-U Fr= 1--      0.8515                 0.8457                 0.1290
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0980
 Beta2  Fr= 1--      0.1489                 0.0613                 0.1117
 AlphaG Fr= 1--      0.0001                 0.0001                -0.0035
 Gamma2 Fr= 1--      0.1082                -0.0740                 0.6500
 Delta2 Fr= 1--     -0.2737                 0.0281                 0.1713
 Raman1 Fr= 1--       4.198                  1.739                 20.772
 ROA1   Fr= 1--       1.623                 -6.201                 67.879
 CID1   Fr= 1--       0.387                 -3.566                  3.268
 Raman2 Fr= 1--       1.787                  0.735                  1.340
 ROA2   Fr= 1--       4.786                 -2.000                 14.229
 CID2   Fr= 1--       2.678                 -2.720                 10.619
 Raman3 Fr= 1--       3.574                  1.471                  2.680
 ROA3   Fr= 1--       1.623                 -6.201                 67.879
 CID3   Fr= 1--       0.454                 -4.217                 25.329
 RC180  Fr= 1--       0.703                  0.691                 -0.742
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.5577                 8.5649                 5.9561
  Dep-P Fr= 1--      0.7383                 0.0450                 0.0730
  Dep-U Fr= 1--      0.8494                 0.0860                 0.1361
 Alpha2 Fr= 1--      0.0003                 0.1712                 0.1113
 Beta2  Fr= 1--      0.2205                 0.1228                 0.1351
 AlphaG Fr= 1--     -0.0003                -0.0262                -0.0761
 Gamma2 Fr= 1--     -0.9445                -1.4800                 0.2110
 Delta2 Fr= 1--      0.0145                -0.1150                 0.0195
 Raman1 Fr= 1--       6.231                 34.260                 23.825
 ROA1   Fr= 1--     -90.204               -145.758                 20.881
 CID1   Fr= 1--     -14.477                 -4.255                  0.876
 Raman2 Fr= 1--       2.646                  1.474                  1.621
 ROA2   Fr= 1--     -22.783                -34.599                  4.908
 CID2   Fr= 1--      -8.609                -23.473                  3.028
 Raman3 Fr= 1--       5.293                  2.948                  3.241
 ROA3   Fr= 1--     -90.204               -145.758                 20.881
 CID3   Fr= 1--     -17.043                -49.443                  6.442
 RC180  Fr= 1--       0.699                 -0.828                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      1.8563                 1.1206                 1.0642
  Dep-P Fr= 1--      0.7066                 0.1183                 0.1650
  Dep-U Fr= 1--      0.8281                 0.2115                 0.2833
 Alpha2 Fr= 1--      0.0014                 0.0188                 0.0158
 Beta2  Fr= 1--      0.2562                 0.0395                 0.0503
 AlphaG Fr= 1--      0.0007                 0.0750                -0.0227
 Gamma2 Fr= 1--      0.2541                 0.1266                -0.1533
 Delta2 Fr= 1--      0.0488                 0.1209                 0.0315
 Raman1 Fr= 1--       7.425                  4.482                  4.257
 ROA1   Fr= 1--      25.957                 16.021                -13.711
 CID1   Fr= 1--       3.496                  3.574                 -3.221
 Raman2 Fr= 1--       3.074                  0.474                  0.603
 ROA2   Fr= 1--       5.708                  2.071                 -3.932
 CID2   Fr= 1--       1.857                  4.368                 -6.521
 Raman3 Fr= 1--       6.149                  0.948                  1.206
 ROA3   Fr= 1--      25.957                 16.021                -13.711
 CID3   Fr= 1--       4.221                 16.898                -11.368
 RC180  Fr= 1--       0.656                 -0.577                 -0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.2848                 1.9004                 2.4825
  Dep-P Fr= 1--      0.5388                 0.6922                 0.7257
  Dep-U Fr= 1--      0.7003                 0.8181                 0.8411
 Alpha2 Fr= 1--      0.0134                 0.0019                 0.0010
 Beta2  Fr= 1--      0.3834                 0.2591                 0.3480
 AlphaG Fr= 1--     -0.0075                 0.0058                 0.0015
 Gamma2 Fr= 1--     -1.6958                 0.6974                 0.5345
 Delta2 Fr= 1--     -1.1073                 0.3600                 0.5029
 Raman1 Fr= 1--      13.139                  7.601                  9.930
 ROA1   Fr= 1--    -198.235                 78.469                 67.407
 CID1   Fr= 1--     -15.087                 10.323                  6.788
 Raman2 Fr= 1--       4.601                  3.109                  4.176
 ROA2   Fr= 1--     -31.842                 13.856                  8.806
 CID2   Fr= 1--      -6.921                  4.457                  2.109
 Raman3 Fr= 1--       9.202                  6.219                  8.352
 ROA3   Fr= 1--    -198.235                 78.469                 67.407
 CID3   Fr= 1--     -21.543                 12.619                  8.071
 RC180  Fr= 1--       0.401                  0.636                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      1.9426                 4.9081                 0.6644
  Dep-P Fr= 1--      0.3131                 0.6384                 0.7326
  Dep-U Fr= 1--      0.4768                 0.7793                 0.8456
 Alpha2 Fr= 1--      0.0192                 0.0099                 0.0002
 Beta2  Fr= 1--      0.1544                 0.6375                 0.0936
 AlphaG Fr= 1--      0.0004                -0.0062                 0.0007
 Gamma2 Fr= 1--     -0.6891                -1.3072                 0.7728
 Delta2 Fr= 1--     -0.0463                -1.6648                 0.5904
 Raman1 Fr= 1--       7.771                 19.632                  2.658
 ROA1   Fr= 1--     -67.637               -178.764                 93.083
 CID1   Fr= 1--      -8.704                 -9.106                 35.026
 Raman2 Fr= 1--       1.853                  7.650                  1.124
 ROA2   Fr= 1--     -16.169                -18.054                 13.824
 CID2   Fr= 1--      -8.727                 -2.360                 12.303
 Raman3 Fr= 1--       3.705                 15.300                  2.247
 ROA3   Fr= 1--     -67.637               -178.764                 93.083
 CID3   Fr= 1--     -18.254                -11.684                 41.420
 RC180  Fr= 1--      -0.046                  0.559                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      5.1758                 3.1898                 2.9988
  Dep-P Fr= 1--      0.5738                 0.4018                 0.5661
  Dep-U Fr= 1--      0.7292                 0.5733                 0.7229
 Alpha2 Fr= 1--      0.0172                 0.0235                 0.0104
 Beta2  Fr= 1--      0.6291                 0.3048                 0.3613
 AlphaG Fr= 1--     -0.0102                 0.0052                 0.0074
 Gamma2 Fr= 1--      1.6596                 0.0212                -1.4310
 Delta2 Fr= 1--      1.7244                 0.1147                -0.7253
 Raman1 Fr= 1--      20.703                 12.759                 11.995
 ROA1   Fr= 1--     214.507                  5.703               -160.584
 CID1   Fr= 1--      10.361                  0.447                -13.388
 Raman2 Fr= 1--       7.549                  3.657                  4.336
 ROA2   Fr= 1--      26.036                 -0.410                -28.541
 CID2   Fr= 1--       3.449                 -0.112                 -6.583
 Raman3 Fr= 1--      15.097                  7.314                  8.671
 ROA3   Fr= 1--     214.507                  5.703               -160.584
 CID3   Fr= 1--      14.208                  0.780                -18.519
 RC180  Fr= 1--       0.458                  0.147                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      2.8075                 3.7176                 2.6668
  Dep-P Fr= 1--      0.6157                 0.4468                 0.4564
  Dep-U Fr= 1--      0.7622                 0.6176                 0.6267
 Alpha2 Fr= 1--      0.0069                 0.0231                 0.0159
 Beta2  Fr= 1--      0.3566                 0.3827                 0.2786
 AlphaG Fr= 1--     -0.0185                -0.0431                -0.0047
 Gamma2 Fr= 1--      0.4195                -0.0795                 1.4612
 Delta2 Fr= 1--      0.9555                 0.1474                -0.7236
 Raman1 Fr= 1--      11.230                 14.870                 10.667
 ROA1   Fr= 1--      70.846                 -2.916                117.120
 CID1   Fr= 1--       6.309                 -0.196                 10.979
 Raman2 Fr= 1--       4.280                  4.592                  3.343
 ROA2   Fr= 1--       2.423                 -3.088                 40.858
 CID2   Fr= 1--       0.566                 -0.672                 12.223
 Raman3 Fr= 1--       8.559                  9.184                  6.685
 ROA3   Fr= 1--      70.846                 -2.916                117.120
 CID3   Fr= 1--       8.277                 -0.317                 17.519
 RC180  Fr= 1--       0.524                  0.235                  0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      3.3056                 1.7472                 2.0164
  Dep-P Fr= 1--      0.7030                 0.2724                 0.0955
  Dep-U Fr= 1--      0.8256                 0.4281                 0.1743
 Alpha2 Fr= 1--      0.0027                 0.0194                 0.0357
 Beta2  Fr= 1--      0.4549                 0.1247                 0.0586
 AlphaG Fr= 1--     -0.0069                 0.0210                 0.0178
 Gamma2 Fr= 1--      1.0315                -0.5827                -0.5277
 Delta2 Fr= 1--     -0.0980                -0.5422                -0.3227
 Raman1 Fr= 1--      13.223                  6.989                  8.066
 ROA1   Fr= 1--      95.889                -73.289                -60.986
 CID1   Fr= 1--       7.252                -10.487                 -7.561
 Raman2 Fr= 1--       5.458                  1.496                  0.703
 ROA2   Fr= 1--      25.541                 -9.648                -10.083
 CID2   Fr= 1--       4.679                 -6.449                -14.345
 Raman3 Fr= 1--      10.917                  2.992                  1.406
 ROA3   Fr= 1--      95.889                -73.289                -60.986
 CID3   Fr= 1--       8.783                -24.494                -43.384
 RC180  Fr= 1--       0.651                 -0.144                 -0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      1.2274                 8.2665                 1.3903
  Dep-P Fr= 1--      0.7435                 0.7458                 0.3487
  Dep-U Fr= 1--      0.8529                 0.8544                 0.5171
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0123
 Beta2  Fr= 1--      0.1745                 1.1771                 0.1198
 AlphaG Fr= 1--     -0.0011                 0.0019                -0.0244
 Gamma2 Fr= 1--      0.4700                 1.2557                -1.0108
 Delta2 Fr= 1--      0.1178                 0.6752                -0.3965
 Raman1 Fr= 1--       4.910                 33.066                  5.561
 ROA1   Fr= 1--      48.892                142.160               -109.727
 CID1   Fr= 1--       9.959                  4.299                -19.730
 Raman2 Fr= 1--       2.094                 14.125                  1.438
 ROA2   Fr= 1--      10.338                 24.736                -21.088
 CID2   Fr= 1--       4.938                  1.751                -14.666
 Raman3 Fr= 1--       4.187                 28.250                  2.876
 ROA3   Fr= 1--      48.892                142.160               -109.727
 CID3   Fr= 1--      11.676                  5.032                -38.154
 RC180  Fr= 1--       0.706                  0.709                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      6.3127                 1.0557                 3.1937
  Dep-P Fr= 1--      0.6923                 0.7266                 0.5891
  Dep-U Fr= 1--      0.8182                 0.8417                 0.7414
 Alpha2 Fr= 1--      0.0064                 0.0004                 0.0096
 Beta2  Fr= 1--      0.8608                 0.1481                 0.3946
 AlphaG Fr= 1--     -0.0001                -0.0003                -0.0194
 Gamma2 Fr= 1--      1.7459                 0.4061                -0.5702
 Delta2 Fr= 1--      0.1089                 0.2274                -0.3258
 Raman1 Fr= 1--      25.251                  4.223                 12.775
 ROA1   Fr= 1--     171.094                 46.266                -65.159
 CID1   Fr= 1--       6.776                 10.956                 -5.101
 Raman2 Fr= 1--      10.330                  1.777                  4.736
 ROA2   Fr= 1--      41.032                  7.928                -11.078
 CID2   Fr= 1--       3.972                  4.461                 -2.339
 Raman3 Fr= 1--      20.659                  3.554                  9.471
 ROA3   Fr= 1--     171.094                 46.266                -65.159
 CID3   Fr= 1--       8.282                 13.017                 -6.880
 RC180  Fr= 1--       0.636                  0.683                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--     11.8032               107.8354                 9.4177
  Dep-P Fr= 1--      0.2368                 0.2984                 0.1998
  Dep-U Fr= 1--      0.3829                 0.4596                 0.3330
 Alpha2 Fr= 1--      0.1451                 1.1114                 0.1280
 Beta2  Fr= 1--      0.7532                 8.2604                 0.5227
 AlphaG Fr= 1--      0.0061                 0.7197                 0.0603
 Gamma2 Fr= 1--      0.9774                 4.1487                -0.5316
 Delta2 Fr= 1--     -0.3564                -1.4998                -0.7486
 Raman1 Fr= 1--      47.213                431.342                 37.671
 ROA1   Fr= 1--      82.425                350.279                -74.987
 CID1   Fr= 1--       1.746                  0.812                 -1.991
 Raman2 Fr= 1--       9.039                 99.125                  6.273
 ROA2   Fr= 1--      26.309                111.567                 -6.769
 CID2   Fr= 1--       2.911                  1.126                 -1.079
 Raman3 Fr= 1--      18.077                198.251                 12.546
 ROA3   Fr= 1--      82.425                350.279                -74.987
 CID3   Fr= 1--       4.560                  1.767                 -5.977
 RC180  Fr= 1--      -0.234                 -0.081                 -0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     52.6025               345.4601                51.8295
  Dep-P Fr= 1--      0.1479                 0.0197                 0.7459
  Dep-U Fr= 1--      0.2578                 0.0386                 0.8545
 Alpha2 Fr= 1--      0.8174                 7.3309                 0.0036
 Beta2  Fr= 1--      2.2598                 2.2242                 7.3811
 AlphaG Fr= 1--     -0.2501                 0.5169                -0.0218
 Gamma2 Fr= 1--      0.1545                 2.8549                 0.4466
 Delta2 Fr= 1--      2.2467                 0.7181                 2.9005
 Raman1 Fr= 1--     210.410               1381.841                207.318
 ROA1   Fr= 1--      86.729                297.052                135.689
 CID1   Fr= 1--       0.412                  0.215                  0.654
 Raman2 Fr= 1--      27.117                 26.691                 88.573
 ROA2   Fr= 1--     -14.265                 62.773                -12.486
 CID2   Fr= 1--      -0.526                  2.352                 -0.141
 Raman3 Fr= 1--      54.235                 53.381                177.147
 ROA3   Fr= 1--      86.729                297.052                135.689
 CID3   Fr= 1--       1.599                  5.565                  0.766
 RC180  Fr= 1--      -0.484                 -0.923                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     54.7746                63.0113                30.6872
  Dep-P Fr= 1--      0.5575                 0.7443                 0.7430
  Dep-U Fr= 1--      0.7159                 0.8534                 0.8525
 Alpha2 Fr= 1--      0.2005                 0.0061                 0.0037
 Beta2  Fr= 1--      6.5358                 8.9622                 4.3603
 AlphaG Fr= 1--      0.0787                -0.0196                 0.0200
 Gamma2 Fr= 1--    -11.7661                 5.7260                 4.7756
 Delta2 Fr= 1--     -7.8199                 1.6434                 1.4794
 Raman1 Fr= 1--     219.099                252.045                122.749
 ROA1   Fr= 1--   -1379.781                602.281                505.803
 CID1   Fr= 1--      -6.298                  2.390                  4.121
 Raman2 Fr= 1--      78.429                107.547                 52.323
 ROA2   Fr= 1--    -219.827                124.276                102.780
 CID2   Fr= 1--      -2.803                  1.156                  1.964
 Raman3 Fr= 1--     156.859                215.093                104.647
 ROA3   Fr= 1--   -1379.781                602.281                505.803
 CID3   Fr= 1--      -8.796                  2.800                  4.833
 RC180  Fr= 1--       0.432                  0.707                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     63.6139               117.7309                49.4522
  Dep-P Fr= 1--      0.0736                 0.0997                 0.7479
  Dep-U Fr= 1--      0.1370                 0.1814                 0.8557
 Alpha2 Fr= 1--      1.1876                 2.0627                 0.0018
 Beta2  Fr= 1--      1.4529                 3.5586                 7.0531
 AlphaG Fr= 1--     -0.0510                -0.2774                 0.0270
 Gamma2 Fr= 1--     -1.6704                 3.3875                -7.2335
 Delta2 Fr= 1--     -1.4859                 3.4488                -0.7435
 Raman1 Fr= 1--     254.456                470.924                197.809
 ROA1   Fr= 1--    -207.906                435.564               -718.209
 CID1   Fr= 1--      -0.817                  0.925                 -3.631
 Raman2 Fr= 1--      17.435                 42.703                 84.637
 ROA2   Fr= 1--     -28.202                 53.709               -167.656
 CID2   Fr= 1--      -1.618                  1.258                 -1.981
 Raman3 Fr= 1--      34.869                 85.406                169.275
 ROA3   Fr= 1--    -207.906                435.564               -718.209
 CID3   Fr= 1--      -5.962                  5.100                 -4.243
 RC180  Fr= 1--      -0.726                 -0.637                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.791733D+02 -0.257184D+01  0.178200D+01
      2  -0.257184D+01  0.813072D+02 -0.138217D+01
      3   0.178200D+01 -0.138217D+01  0.716697D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.184031D+01  0.176044D+01  0.740570D+01
      2   0.105208D+02  0.209668D+01 -0.269404D+02
      3  -0.102143D+02  0.128028D+02 -0.742204D-01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.741801D+02  0.105384D+02  0.205422D+02
      2   0.409283D+02 -0.707609D+01 -0.152530D+02
      3   0.332518D+02 -0.346227D+01 -0.528923D+01
      4  -0.111224D+02 -0.248480D+02  0.120316D+02
      5   0.150469D+02  0.918539D+01 -0.509114D+02
      6   0.114894D+02 -0.116407D+02 -0.199082D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.506397D+01  0.148768D+01 -0.398693D+01  0.117901D+01 -0.344695D+01
      2   0.148768D+01 -0.346113D+01 -0.695149D+00 -0.344695D+01  0.158613D+01
      3  -0.398693D+01 -0.695149D+00  0.254776D+00 -0.469261D+00 -0.275649D+01
                 6             7             8             9            10 
      1  -0.469261D+00 -0.307741D+01 -0.511341D+00 -0.190091D+00 -0.465907D+01
      2  -0.275649D+01 -0.511341D+00 -0.206143D+01 -0.230667D+01 -0.203962D+00
      3  -0.184090D+01 -0.190091D+00 -0.230667D+01  0.264907D+01  0.311200D+01
                11            12            13            14            15 
      1  -0.203962D+00  0.311200D+01  0.915882D+00  0.426163D+01  0.746399D+00
      2   0.361866D+01  0.814186D+00  0.426163D+01  0.130444D+01  0.296988D+01
      3   0.814186D+00  0.321095D+00  0.746399D+00  0.296988D+01  0.273672D+01
                16            17            18            19            20 
      1   0.457051D+01  0.975022D+00  0.258165D+00  0.444407D+01  0.572610D-01
      2   0.975022D+00  0.291945D+01  0.341287D+01  0.572610D-01 -0.185042D+01
      3   0.258165D+00  0.341287D+01 -0.347212D+01 -0.194009D+01 -0.120266D+01
                21            22            23            24            25 
      1  -0.194009D+01  0.118273D+00 -0.256614D+01 -0.103158D+01 -0.244907D+01
      2  -0.120266D+01 -0.256614D+01  0.434430D+00  0.119232D+00 -0.128814D+01
      3   0.565128D+00 -0.103158D+01  0.119232D+00 -0.241340D+01  0.106680D+01
                26            27            28            29            30 
      1  -0.128814D+01  0.106680D+01 -0.427722D-01  0.715082D+00  0.512918D-01
      2  -0.589964D+00 -0.289889D+01  0.715082D+00  0.211083D+01  0.115961D+01
      3  -0.289889D+01  0.414237D+01  0.512918D-01  0.115961D+01  0.382367D+00
                31            32            33            34            35 
      1  -0.123501D+01  0.114593D+00  0.864689D+00 -0.955967D+00  0.122291D+01
      2   0.114593D+00 -0.599641D+01  0.124460D+01  0.122291D+01  0.199492D+01
      3   0.864689D+00  0.124460D+01  0.642661D+00 -0.314109D+00  0.125143D+01
                36            37            38            39            40 
      1  -0.314109D+00  0.533546D+01 -0.864659D+00  0.198748D+01  0.587639D+00
      2   0.125143D+01 -0.864659D+00  0.429395D+00 -0.396731D-01  0.183195D+01
      3  -0.239186D+00  0.198748D+01 -0.396731D-01  0.129971D+01  0.110325D+01
                41            42            43            44            45 
      1   0.183195D+01  0.110325D+01  0.263938D+01 -0.131499D-01  0.222585D+01
      2   0.381835D+01  0.187826D+01 -0.131499D-01  0.586284D+00 -0.582738D+00
      3   0.187826D+01  0.101531D+01  0.222585D+01 -0.582738D+00  0.337734D+01
                46            47            48            49            50 
      1   0.489009D+01  0.351865D+00 -0.292393D+01  0.112964D+01 -0.328523D+01
      2   0.351865D+00 -0.324952D+01 -0.374643D+00 -0.328523D+01 -0.550873D+00
      3  -0.292393D+01 -0.374643D+00  0.339210D+00 -0.535129D+00 -0.194849D+01
                51            52            53            54            55 
      1  -0.535129D+00 -0.340356D+01 -0.376823D+00  0.975696D+00  0.949680D+00
      2  -0.194849D+01 -0.376823D+00 -0.163519D+01 -0.268022D+01  0.587763D+00
      3  -0.198956D+01  0.975696D+00 -0.268022D+01  0.598111D+01  0.186125D+01
                56            57            58            59            60 
      1   0.587763D+00  0.186125D+01  0.333548D+00  0.322618D+01  0.536641D-02
      2   0.353320D+01  0.228128D+00  0.322618D+01 -0.282392D+00  0.831081D+00
      3   0.228128D+00 -0.178253D+01  0.536641D-02  0.831081D+00  0.569556D+00
                61            62            63            64            65 
      1   0.281790D+01 -0.107899D+01 -0.229776D+01 -0.218852D+01  0.285965D+01
      2  -0.107899D+01  0.198473D+01  0.887102D+00  0.285965D+01  0.108223D+00
      3  -0.229776D+01  0.887102D+00  0.177825D+01 -0.562683D+00 -0.444425D+00
                66            67            68            69            70 
      1  -0.562683D+00  0.413489D+01  0.111227D+01 -0.489666D-01 -0.242009D+00
      2  -0.444425D+00  0.111227D+01  0.135119D+02 -0.131293D+01 -0.501537D+00
      3  -0.282457D+00 -0.489666D-01 -0.131293D+01  0.215842D+01  0.226838D+00
                71            72            73            74            75 
      1  -0.501537D+00  0.226838D+00 -0.127950D+01  0.477060D+00 -0.848551D+00
      2  -0.851407D+00  0.258175D+01  0.477060D+00 -0.595476D-01  0.165501D+00
      3   0.258175D+01 -0.869199D+00 -0.848551D+00  0.165501D+00 -0.440238D+00
                76            77            78            79            80 
      1   0.694416D+00  0.945522D-01  0.152411D+00 -0.131458D+01  0.481323D+00
      2   0.945522D-01  0.119330D+01 -0.157333D+01  0.481323D+00 -0.193506D+01
      3   0.152411D+00 -0.157333D+01  0.197206D+01 -0.153055D+00  0.167748D+01
                81            82            83            84            85 
      1  -0.153055D+00 -0.219816D+01 -0.161228D+01 -0.165793D+01 -0.238159D+01
      2   0.167748D+01 -0.161228D+01 -0.232556D+01 -0.769913D+00 -0.246101D+01
      3  -0.755087D+01 -0.165793D+01 -0.769913D+00 -0.131906D+01 -0.771223D+00
                86            87            88            89            90 
      1  -0.246101D+01 -0.771223D+00 -0.229564D+01 -0.816398D+00 -0.121711D+01
      2  -0.496572D+01 -0.209876D+01 -0.816398D+00 -0.233495D+01 -0.211064D+01
      3  -0.209876D+01 -0.215936D+01 -0.121711D+01 -0.211064D+01 -0.193544D+01
                91            92            93            94            95 
      1   0.110170D+01 -0.733867D+00  0.615126D-01 -0.237044D+01 -0.167628D-01
      2  -0.733867D+00  0.294433D-01 -0.536958D+00 -0.167628D-01 -0.502372D+01
      3   0.615126D-01 -0.536958D+00  0.120325D+00 -0.164826D+01 -0.541944D+00
                96            97            98            99           100 
      1  -0.164826D+01  0.886006D-01 -0.564686D+00  0.732732D-01 -0.223873D+01
      2  -0.541944D+00 -0.564686D+00 -0.249649D+00 -0.922542D+00 -0.179318D+01
      3  -0.227885D+01  0.732732D-01 -0.922542D+00  0.723223D+00 -0.107489D-01
               101           102           103           104           105 
      1  -0.179318D+01 -0.107489D-01 -0.205892D+01 -0.198929D+01 -0.251461D+00
      2  -0.398495D+01 -0.668488D+00 -0.198929D+01 -0.636635D+01 -0.115180D+01
      3  -0.668488D+00 -0.631609D+00 -0.251461D+00 -0.115180D+01 -0.120225D+01
               106           107           108           109           110 
      1   0.200586D+00  0.276288D-01  0.637033D-01  0.354201D+01 -0.163226D+01
      2   0.276288D-01 -0.489624D+00 -0.712154D+00 -0.163226D+01  0.164390D+01
      3   0.637033D-01 -0.712154D+00 -0.215387D+00 -0.232648D+01  0.123034D+01
               111           112           113           114           115 
      1  -0.232648D+01 -0.705107D+00  0.983584D+00  0.587555D+00 -0.299364D+01
      2   0.123034D+01  0.983584D+00 -0.144671D+01 -0.113636D+01  0.150525D+01
      3   0.296982D+01  0.587555D+00 -0.113636D+01 -0.973070D+00  0.291774D+01
               116           117           118           119           120 
      1   0.150525D+01  0.291774D+01 -0.976997D+01  0.131084D+01  0.158763D+01
      2  -0.197895D+01 -0.200455D+01  0.131084D+01 -0.119161D+01 -0.217325D-02
      3  -0.200455D+01 -0.369498D+01  0.158763D+01 -0.217325D-02 -0.156622D+01
               121           122           123           124           125 
      1  -0.685095D+00 -0.665078D+00  0.587207D-01  0.277412D+01 -0.460870D+00
      2  -0.665078D+00  0.816946D-01  0.489361D+00 -0.460870D+00  0.794147D+00
      3   0.587207D-01  0.489361D+00 -0.848739D-01 -0.153907D+01  0.359077D+00
               126           127           128           129           130 
      1  -0.153907D+01  0.346274D+01  0.578902D+00  0.873616D+00  0.163641D+01
      2   0.359077D+00  0.578902D+00  0.201455D+01  0.371239D+00  0.675256D+00
      3   0.491155D+00  0.873616D+00  0.371239D+00  0.762048D+00  0.341834D+00
               131           132           133           134           135 
      1   0.675256D+00  0.341834D+00  0.123082D+01  0.942816D-01  0.209760D+00
      2   0.514242D+01  0.127113D+01  0.942816D-01  0.220346D+01  0.144953D+01
      3   0.127113D+01  0.157029D+01  0.209760D+00  0.144953D+01  0.737923D+00
               136           137           138           139           140 
      1  -0.103690D+01  0.349098D+00 -0.858821D+00  0.152924D+00 -0.776783D-01
      2   0.349098D+00  0.172533D+00  0.193841D+00 -0.776783D-01  0.117952D+01
      3  -0.858821D+00  0.193841D+00 -0.593577D+00  0.365775D+00 -0.121027D+01
               141           142           143           144           145 
      1   0.365775D+00 -0.179169D+01  0.853543D+00 -0.158876D+01 -0.754385D+01
      2  -0.121027D+01  0.853543D+00 -0.201301D+01  0.241948D+01 -0.116360D+01
      3   0.143140D+01 -0.158876D+01  0.241948D+01 -0.808305D+01  0.353573D+01
               146           147           148           149           150 
      1  -0.116360D+01  0.353573D+01 -0.908136D+00 -0.762099D+00  0.427662D+00
      2  -0.111934D+01  0.785332D+00 -0.762099D+00 -0.781624D+00  0.880689D+00
      3   0.785332D+00 -0.321203D+01  0.427662D+00  0.880689D+00 -0.168389D+00
               151           152           153           154           155 
      1   0.227803D+01  0.418701D+00 -0.204959D+01  0.126298D+01 -0.149480D+01
      2   0.418701D+00  0.632010D+00 -0.237574D+00 -0.149480D+01  0.224220D+01
      3  -0.204959D+01 -0.237574D+00  0.191851D+01  0.875440D+00 -0.768976D+00
               156           157           158           159           160 
      1   0.875440D+00 -0.185237D+01  0.185037D+01 -0.330227D+00  0.730185D+00
      2  -0.768976D+00  0.185037D+01 -0.551624D+01  0.223162D+01 -0.420958D+00
      3   0.130728D+01 -0.330227D+00  0.223162D+01 -0.216034D+01  0.641043D+00
               161           162           163           164           165 
      1  -0.420958D+00  0.641043D+00  0.904753D+00  0.723401D+00  0.117022D+01
      2   0.143548D+01 -0.113572D+01  0.723401D+00  0.133915D+01  0.554883D+00
      3  -0.113572D+01  0.108727D+01  0.117022D+01  0.554883D+00  0.150595D+01
               166           167           168           169           170 
      1   0.131403D+01  0.111985D+01  0.432444D+00  0.119345D+01  0.454233D+00
      2   0.111985D+01  0.267787D+01  0.181452D+01  0.454233D+00  0.158874D+01
      3   0.432444D+00  0.181452D+01  0.317459D+01  0.690669D+00  0.155298D+01
               171 
      1   0.690669D+00
      2   0.155298D+01
      3   0.317404D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.577301D+00 -0.703212D+01 -0.903019D+00 -0.626466D+01  0.194518D+01
      2  -0.241545D+01 -0.252338D+01  0.104552D+02 -0.195610D+01  0.101594D+02
      3  -0.188706D+01 -0.823478D+01  0.226649D+01 -0.428588D+01  0.472926D+01
                 6             7             8             9            10 
      1  -0.997364D+01 -0.105676D+01 -0.402595D+01 -0.275651D+00  0.159338D+01
      2   0.353554D+01  0.415330D+01  0.417835D+01 -0.419309D+01 -0.800369D+01
      3  -0.361554D+01  0.153026D+01 -0.241991D+01 -0.318370D+01  0.212094D+01
                11            12            13            14            15 
      1   0.531783D-01  0.900062D-01  0.473912D-01  0.616579D+00 -0.338642D+01
      2  -0.210525D+01  0.402849D+01  0.161307D+01 -0.235045D+01 -0.311300D+01
      3   0.301729D+01  0.166778D+01  0.899019D+01 -0.117698D+01  0.347349D+01
                16            17            18            19            20 
      1  -0.144180D+01  0.249675D+01 -0.203757D+01 -0.188764D+01  0.174979D+01
      2  -0.143241D+01 -0.216910D+01  0.474586D+01  0.157976D+01  0.494675D+00
      3  -0.144137D+01  0.274183D+01  0.392097D+01 -0.763521D+00 -0.356125D+01
                21            22            23            24            25 
      1  -0.966875D+00  0.399232D+01 -0.177496D+00  0.304487D+00  0.229768D+01
      2  -0.930854D+00 -0.969025D+00 -0.196579D+01  0.212674D+01 -0.741480D+01
      3   0.144285D-01  0.361249D+01 -0.683986D+00 -0.259464D+01  0.125865D+01
                26            27            28            29            30 
      1   0.394047D+01  0.253012D+01 -0.110971D+01 -0.433052D+01  0.577190D+00
      2  -0.134256D+01  0.312239D+01  0.114221D+02  0.408433D+01  0.225612D+01
      3  -0.972699D+00  0.158946D-01 -0.320343D+01 -0.754928D+01 -0.236926D+01
                31            32            33            34            35 
      1  -0.370485D+01  0.373106D+00  0.662214D+01  0.253760D+01  0.712754D+01
      2  -0.705730D+00  0.137613D+01 -0.743468D+00 -0.884937D+01 -0.246454D+01
      3  -0.620846D+01  0.859665D+01  0.221192D+01 -0.258875D+00  0.371194D+01
                36            37            38            39            40 
      1  -0.142476D+01 -0.781667D+00  0.365272D+01  0.590726D+00  0.284382D+01
      2  -0.884194D+01 -0.171371D+01 -0.133432D+01  0.518827D+01  0.216728D+00
      3  -0.105731D+00  0.201910D+01 -0.681965D+01  0.827776D+00 -0.151424D+01
                41            42            43            44            45 
      1   0.824567D+01  0.255605D+00 -0.996709D+00  0.484634D+01 -0.337579D+00
      2   0.325841D+01  0.305146D+01  0.224869D+01  0.977695D+00  0.878337D+01
      3  -0.127676D+02 -0.593181D+01 -0.172829D+01 -0.550167D+01  0.770835D+00
                46            47            48            49            50 
      1   0.314022D+01  0.254655D+01 -0.390054D+00  0.234650D+01  0.215789D+01
      2   0.985551D+01  0.118357D+01 -0.757547D+00  0.148352D+01  0.266289D+01
      3   0.611287D+01 -0.112230D+02 -0.440615D+01 -0.472952D+01 -0.591714D+01
                51            52            53            54            55 
      1   0.173851D+01 -0.237517D+01  0.692164D+01 -0.703433D+01  0.390699D+01
      2   0.447425D+01 -0.664035D+01  0.638374D+01 -0.130550D+02  0.303709D+01
      3  -0.529450D+01 -0.450068D+01 -0.484442D+01 -0.502099D+01 -0.362571D+01
                56            57            58            59            60 
      1  -0.343373D+01 -0.311721D+01 -0.340085D+01  0.341546D+01 -0.367276D+01
      2  -0.701847D+00  0.239097D+01 -0.894151D+00  0.404471D+01 -0.112823D+01
      3  -0.116466D+02 -0.427301D+01 -0.146401D+01 -0.647886D+01 -0.118039D+01
                61            62            63            64            65 
      1  -0.536167D+01  0.550032D+01  0.367363D+01  0.150620D+01  0.458171D+00
      2  -0.493555D+01  0.114859D+01  0.165933D+01 -0.355987D+01 -0.153870D+01
      3  -0.296871D+01 -0.589843D+00  0.413105D+01 -0.779105D+01  0.718484D+00
                66            67            68            69            70 
      1  -0.715839D+00 -0.914528D+00 -0.105639D+01 -0.125241D+02 -0.704692D+00
      2   0.149011D+01  0.326644D+01 -0.335225D+00  0.249599D+01 -0.141364D+01
      3   0.581187D+00  0.136750D+02 -0.157787D+02  0.144064D+01  0.953965D+00
                71            72            73            74            75 
      1  -0.267180D+00  0.581533D+00 -0.737656D+00  0.441629D+00 -0.179840D+00
      2   0.467957D+01  0.113374D+01 -0.142726D+01  0.624640D+00  0.182363D-01
      3  -0.229628D+00 -0.432584D+01  0.315753D+00 -0.478648D+00  0.495643D+00
                76            77            78            79            80 
      1  -0.104497D+00 -0.210822D+01  0.457817D+00 -0.906122D+00  0.466026D+01
      2   0.153987D+01 -0.608701D+00 -0.109232D+00 -0.366602D+01  0.798739D+00
      3   0.164413D+01 -0.102846D-01  0.792794D+00 -0.339741D+00  0.134765D+00
                81            82            83            84            85 
      1  -0.155332D+01 -0.461653D+00  0.617180D+00 -0.128001D+01  0.469212D+00
      2  -0.924858D-01  0.936459D+00  0.490906D+00  0.242300D+01 -0.155877D+01
      3  -0.349971D+00 -0.391471D+00 -0.412222D+01 -0.205922D+00  0.113397D+01
                86            87            88            89            90 
      1   0.106328D+01 -0.243805D+01 -0.270171D+00  0.139401D+01 -0.714621D+00
      2   0.129398D+01  0.344730D+01 -0.154468D+01  0.220351D+01  0.220613D+01
      3  -0.628306D+01 -0.280487D+01  0.166774D+01 -0.315670D+01 -0.234624D+01
                91            92            93            94            95 
      1  -0.110471D+00 -0.226396D+01  0.190121D+00 -0.226250D+01 -0.102586D+02
      2   0.196845D+01  0.485781D-01  0.601617D-01 -0.811192D+00 -0.166226D+01
      3   0.345093D-01  0.755827D+00  0.830262D+00  0.238010D+01  0.163463D+02
                96            97            98            99           100 
      1  -0.341010D+01 -0.529759D+00 -0.981113D+00  0.934465D+00  0.104366D+01
      2  -0.497777D+01 -0.861229D+00 -0.246621D+01 -0.166920D+00 -0.183472D+01
      3   0.394675D+01  0.380482D+00  0.297696D+01  0.231681D+01  0.871923D+01
               101           102           103           104           105 
      1   0.200077D+01 -0.198719D+01  0.482829D+00  0.259515D+01 -0.283821D+01
      2  -0.834959D+00  0.678514D+00 -0.151982D+01 -0.169236D+01 -0.195280D+00
      3   0.608337D+01  0.309809D+00  0.760847D+01  0.945101D+01  0.203273D+01
               106           107           108           109           110 
      1   0.221907D+00 -0.140298D-01  0.623429D+00 -0.338658D+01  0.108679D+01
      2   0.705368D-01 -0.182329D+00  0.392375D+00  0.505095D+00  0.455317D+00
      3  -0.725072D+00  0.349386D+00  0.220702D+00 -0.522258D+01  0.728822D+00
               111           112           113           114           115 
      1   0.607419D+01  0.494843D+00 -0.100004D+01 -0.180971D+01  0.467576D+01
      2   0.287280D+01 -0.583839D-01 -0.270977D+00 -0.835149D+00 -0.436516D+00
      3   0.321145D+01  0.144148D+01  0.174787D+00 -0.181654D+00  0.468936D+01
               116           117           118           119           120 
      1  -0.119186D+01 -0.594244D+01 -0.253208D+01  0.546847D-01  0.203883D+01
      2  -0.112976D+01 -0.276128D+01 -0.801022D+01  0.416807D+00  0.732878D+01
      3  -0.228156D+00 -0.395234D+01 -0.809431D+01 -0.436050D+01  0.208510D+01
               121           122           123           124           125 
      1   0.398623D+00 -0.561092D+00 -0.887449D+00  0.148117D+01  0.285238D+00
      2  -0.166985D+00 -0.166363D+01  0.365429D+00  0.385292D+01 -0.758199D+00
      3  -0.111229D+01 -0.702715D+00  0.136351D+01  0.198032D+01  0.245597D+01
               126           127           128           129           130 
      1  -0.816350D+00 -0.178424D+01 -0.104297D+01 -0.175443D+01 -0.111076D+01
      2  -0.252060D+01 -0.130429D+01 -0.703865D+00 -0.654494D+00 -0.650439D+00
      3  -0.587687D+00  0.116558D+02  0.484694D+01  0.257340D+01  0.717433D+01
               131           132           133           134           135 
      1  -0.367095D+01 -0.454044D+01 -0.486406D+00 -0.146341D+01 -0.208105D+01
      2  -0.258159D+01 -0.294901D+01 -0.143593D+01 -0.277825D+01 -0.139129D+01
      3   0.130093D+02  0.404149D+01  0.255593D+01  0.531199D+01  0.364697D+01
               136           137           138           139           140 
      1   0.581520D+00 -0.426434D+00  0.577413D+00 -0.503613D+00  0.169003D+00
      2   0.119350D+01 -0.536521D+00  0.174190D+01 -0.382547D+00  0.247410D+01
      3  -0.491263D-01  0.132422D+00 -0.938404D-01  0.138859D+01  0.262906D+01
               141           142           143           144           145 
      1  -0.204819D+01  0.707588D+00  0.143989D+01  0.827427D+01  0.106117D+01
      2  -0.313636D+01 -0.884049D+00 -0.420442D+01  0.170070D+02  0.792068D+01
      3  -0.222981D+01 -0.637735D+00 -0.408446D+01  0.419579D+01  0.480701D+01
               146           147           148           149           150 
      1  -0.216575D+01 -0.165906D+01 -0.398215D+00 -0.297988D+00  0.162150D+00
      2   0.391708D+00  0.204616D+01  0.976863D+00 -0.573806D+00 -0.279932D+00
      3  -0.311922D+01 -0.132871D+01  0.613486D+00 -0.744034D+00  0.875024D+00
               151           152           153           154           155 
      1  -0.933231D+00  0.198278D+01  0.108645D+01 -0.196458D+01  0.420779D+01
      2  -0.252225D+01 -0.600892D+00 -0.770912D-01 -0.479575D+01  0.378924D+01
      3  -0.131326D+01  0.124950D+01  0.139944D+01 -0.439808D+01  0.349400D+01
               156           157           158           159           160 
      1   0.115129D+01  0.378793D+01 -0.788250D+01 -0.109190D+01  0.618719D-01
      2  -0.174545D+01  0.477931D+01 -0.667078D+01  0.263258D+01 -0.310608D+01
      3  -0.142997D+01  0.661026D+01 -0.829906D+01  0.263194D+01 -0.140695D+01
               161           162           163           164           165 
      1   0.235103D+01 -0.576983D+00  0.250046D+01  0.382621D+01  0.166378D+01
      2   0.228136D+01 -0.190211D+01 -0.446359D+01 -0.239202D+01 -0.305262D+01
      3   0.188079D+01 -0.222496D+01  0.928934D+00  0.682429D+00 -0.651078D-01
               166           167           168           169           170 
      1   0.291090D+01  0.712302D+01  0.324249D+01  0.179108D+01  0.565280D+01
      2  -0.420266D+01 -0.489404D+01 -0.466186D+01 -0.477487D+01 -0.326939D+01
      3   0.263424D+01  0.262021D+01  0.191290D+01  0.303975D+00  0.121435D+01
               171 
      1   0.439937D+01
      2  -0.493834D+01
      3   0.147902D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129941D+02 -0.787763D+01  0.166714D+02 -0.722246D+01  0.181815D+02
      2   0.127259D+02  0.120771D+02 -0.861593D+01  0.108591D+02 -0.867541D+01
      3   0.268229D+00 -0.419949D+01 -0.805545D+01 -0.363660D+01 -0.950609D+01
      4  -0.104539D+02  0.485800D+01  0.711961D+01  0.595709D+01  0.175459D+01
      5   0.241089D+02  0.517607D+01 -0.117149D+02  0.353720D+01 -0.196633D+01
      6   0.835780D+01 -0.922193D+01 -0.337006D+01 -0.859451D+01  0.606530D+01
                 6             7             8             9            10 
      1   0.414858D+01  0.125694D+02  0.397374D+01 -0.729840D+01  0.976258D+01
      2   0.814092D+01 -0.609557D+01  0.667240D+01 -0.166865D+01 -0.114398D+02
      3  -0.122895D+02 -0.647385D+01 -0.106461D+02  0.896706D+01  0.167721D+01
      4   0.492952D+01  0.588715D+01  0.393752D+01  0.545354D+01 -0.444314D+01
      5   0.161496D+01 -0.877195D+01  0.345054D+01 -0.580357D+01 -0.104256D+02
      6  -0.717197D+01 -0.210699D+01 -0.507708D+01 -0.802271D+01 -0.558131D+01
                11            12            13            14            15 
      1   0.525834D+00 -0.862585D+01  0.323674D+01 -0.103200D+02 -0.143265D+01
      2  -0.114161D+01  0.350294D+01 -0.241267D+01 -0.257498D+00 -0.347194D+01
      3   0.615773D+00  0.512291D+01 -0.824067D+00  0.105775D+02  0.490459D+01
      4  -0.143852D+02 -0.481554D+01 -0.144833D+02 -0.809650D+01 -0.109642D+02
      5  -0.281170D+01 -0.153969D+01 -0.112914D+01 -0.123324D+02 -0.718913D+01
      6  -0.491783D+01 -0.950316D+00 -0.511486D+01 -0.502724D+01 -0.307734D+01
                16            17            18            19            20 
      1  -0.103944D+02 -0.115589D+01  0.270509D+01 -0.733191D+01 -0.674795D+01
      2   0.390569D+01 -0.197805D+01 -0.214352D+01  0.725331D+01  0.813440D+01
      3   0.648873D+01  0.313394D+01 -0.561567D+00  0.786018D-01 -0.138645D+01
      4  -0.261382D+01 -0.917640D+01 -0.103536D+02  0.534432D+01  0.318977D+00
      5  -0.258853D+01 -0.952501D+01  0.765649D+01  0.625360D+00 -0.134429D+01
      6  -0.189213D+01 -0.515240D+01 -0.171007D+00  0.426969D+01  0.471121D+01
                21            22            23            24            25 
      1   0.139029D+00 -0.343571D+01  0.328034D+01 -0.385030D+01  0.437523D+01
      2   0.252772D+00  0.355359D+01 -0.708441D+00 -0.469690D+01 -0.248393D+00
      3  -0.391801D+00 -0.117881D+00 -0.257190D+01  0.854719D+01 -0.412684D+01
      4   0.615567D+00 -0.410518D+01  0.879545D+01  0.120755D+01 -0.592609D+00
      5  -0.763706D+00 -0.164992D+01  0.275459D+01  0.444767D+01  0.196377D+01
      6   0.361549D+01  0.136050D+01 -0.270803D+00 -0.665517D+01 -0.593513D+00
                26            27            28            29            30 
      1  -0.608670D+01  0.736023D+01 -0.479350D+01  0.155266D+01 -0.627122D+00
      2  -0.595025D+00  0.125393D+02  0.120126D+01 -0.151610D+01  0.738395D+01
      3   0.668173D+01 -0.198996D+02  0.359224D+01 -0.365589D-01 -0.675683D+01
      4   0.326784D+01 -0.225978D+01  0.287406D+01  0.238590D+01  0.156106D+01
      5  -0.686760D+00 -0.866025D+00 -0.698440D+01  0.363369D+01 -0.202724D+01
      6   0.235486D+01  0.593088D+01 -0.153343D+01 -0.217391D+01  0.178637D+01
                31            32            33            34            35 
      1   0.665030D+01  0.192790D+02  0.828142D+00 -0.115284D+02  0.547530D+01
      2  -0.718376D+01 -0.354712D+02 -0.130150D+01  0.953631D+01 -0.101868D+01
      3   0.533464D+00  0.161922D+02  0.473362D+00  0.199209D+01 -0.445662D+01
      4  -0.150055D+02 -0.174828D+02  0.353627D+01  0.430401D+01 -0.354692D+00
      5   0.618246D+01  0.602952D+01 -0.620351D+00  0.154430D+00  0.154720D+01
      6   0.630101D+00  0.260444D+01 -0.111126D+02 -0.683043D+00  0.119480D+01
                36            37            38            39            40 
      1  -0.946416D+00  0.349692D+02 -0.206742D+01  0.716003D+01  0.220277D+01
      2  -0.184040D+01 -0.228417D+02  0.155797D+01 -0.955773D+01 -0.143707D+01
      3   0.278681D+01 -0.121275D+02  0.509445D+00  0.239770D+01 -0.765703D+00
      4   0.108827D+01 -0.262592D+01  0.826549D+01  0.593971D-01  0.129774D+02
      5  -0.831254D+01  0.141572D+02 -0.144815D+01  0.141467D+02  0.248811D+01
      6  -0.799161D+00  0.515744D+00  0.116222D+01 -0.235304D+01  0.489749D+00
                41            42            43            44            45 
      1   0.565539D+01  0.426617D+01  0.110069D+02 -0.381948D+00  0.300464D+01
      2  -0.172229D+01 -0.340282D+01 -0.109552D+02  0.873858D+00 -0.151138D+02
      3  -0.393310D+01 -0.863347D+00 -0.517249D-01 -0.491910D+00  0.121091D+02
      4   0.104586D+02  0.563988D+01 -0.268258D+01  0.401362D+01 -0.867069D+00
      5   0.592664D+01  0.278009D+01  0.156102D+02 -0.196492D+01  0.175368D+02
      6  -0.148301D+01  0.516671D+01  0.256613D+00  0.467790D+01 -0.256438D+00
                46            47            48            49            50 
      1  -0.359063D+02  0.487118D+01  0.170564D+02 -0.266316D+01  0.161023D+02
      2   0.191495D+02 -0.972386D+01 -0.970135D+01 -0.506665D+01 -0.953204D+01
      3   0.167567D+02  0.485268D+01 -0.735505D+01  0.772981D+01 -0.657026D+01
      4   0.319191D+01  0.119620D+02 -0.218631D+01  0.133499D+02 -0.382830D+01
      5   0.128925D+02  0.478012D+00 -0.505700D+00  0.796247D+00  0.967911D+01
      6  -0.500204D+01  0.413059D-01  0.378683D+00  0.864030D+00 -0.467348D+01
                51            52            53            54            55 
      1   0.294953D+01  0.207574D+02  0.135452D+01  0.441118D+01  0.104352D+02
      2  -0.876620D+01 -0.956090D+01 -0.838325D+01  0.598060D+01 -0.492261D+01
      3   0.581667D+01 -0.111965D+02  0.702873D+01 -0.103918D+02 -0.551255D+01
      4   0.609480D+01 -0.213341D+01  0.473196D+01  0.909397D+01 -0.381032D+01
      5   0.868617D+01 -0.331942D+01  0.101088D+02 -0.251410D+02  0.511990D+01
      6  -0.346888D+01  0.192692D+01 -0.389787D+01  0.121951D+02 -0.785493D+01
                56            57            58            59            60 
      1   0.118268D+02  0.247270D+01  0.797806D+01  0.199776D+01  0.211787D+01
      2  -0.203449D+02 -0.581331D+01 -0.146819D+02  0.337860D+01 -0.322122D+01
      3   0.851810D+01  0.334061D+01  0.670389D+01 -0.537636D+01  0.110335D+01
      4   0.218786D+01 -0.491445D+01  0.587460D+01 -0.171406D+02  0.233347D+01
      5  -0.339699D+01 -0.116523D+01 -0.211050D+01 -0.227492D+01 -0.501048D+00
      6  -0.289957D+01  0.551778D+01 -0.912063D+00 -0.477303D+01  0.414468D+01
                61            62            63            64            65 
      1  -0.481117D+00  0.284957D+01 -0.389180D+01  0.390792D+01  0.646888D+01
      2  -0.270528D+01 -0.522553D+01 -0.658853D+00  0.429012D+01 -0.287425D+01
      3   0.318640D+01  0.237597D+01  0.455065D+01 -0.819803D+01 -0.359464D+01
      4  -0.686446D+01  0.570873D+01  0.912000D+01  0.363079D+01  0.153676D+02
      5  -0.588716D+01  0.476126D+01  0.921480D+01 -0.945784D+00 -0.219345D+01
      6   0.108323D+02 -0.318217D+01 -0.699319D+01 -0.932426D+00 -0.132100D+01
                66            67            68            69            70 
      1   0.336282D+00  0.341376D+01 -0.349790D+02  0.235268D+01  0.638781D+00
      2  -0.132884D+01  0.169449D+01  0.647045D+02 -0.215524D+01 -0.200243D+01
      3   0.992553D+00 -0.510826D+01 -0.297255D+02 -0.197441D+00  0.136365D+01
      4  -0.209291D+01  0.215276D+02  0.323850D+02 -0.361427D+01 -0.200242D+01
      5   0.428261D+01 -0.163439D+01 -0.704461D+01  0.713551D+01  0.454088D+01
      6   0.885156D+00 -0.195033D+01 -0.412052D+01  0.179552D+02  0.159024D+01
                71            72            73            74            75 
      1  -0.177536D+00 -0.747875D+01  0.626397D+00  0.450789D+00 -0.746050D+00
      2  -0.134193D+01  0.606319D+01 -0.483998D+01  0.119553D+00 -0.102565D+01
      3   0.151946D+01  0.141556D+01  0.421359D+01 -0.570342D+00  0.177170D+01
      4  -0.202157D+01  0.632410D+01  0.646474D-01  0.132086D+01 -0.684614D+00
      5   0.707668D+01 -0.236517D+01  0.106967D+01 -0.153052D+01  0.599238D+01
      6   0.151341D+02 -0.236908D+01 -0.196822D+01  0.417405D-01 -0.164860D+00
                76            77            78            79            80 
      1   0.302845D+00 -0.401068D+01  0.453802D+01 -0.419528D+00  0.309726D+01
      2   0.811823D+00 -0.131449D+01  0.415420D+01 -0.181049D+01  0.462126D+01
      3  -0.111467D+01  0.532517D+01 -0.869222D+01  0.223001D+01 -0.771851D+01
      4   0.201269D+01  0.661295D+00 -0.151741D+00 -0.180120D+00 -0.185899D+01
      5  -0.116477D+01  0.277173D+00 -0.202749D+00  0.505962D+01  0.188913D-01
      6   0.805206D+00 -0.425318D+01  0.795272D+01 -0.105674D+01  0.633174D+01
                81            82            83            84            85 
      1  -0.177872D+02  0.983952D+01  0.477175D+01  0.483569D+01  0.433343D+01
      2  -0.181931D+02 -0.246828D+01 -0.106228D+00 -0.196633D+01  0.136188D+01
      3   0.359803D+02 -0.737124D+01 -0.466552D+01 -0.286936D+01 -0.569530D+01
      4   0.745234D+00  0.120120D+02  0.137874D+02  0.573406D+01  0.143466D+02
      5  -0.724511D-01  0.822614D+01  0.500353D+01  0.770104D+01  0.519649D+01
      6  -0.535393D+01  0.436213D+01  0.393835D+01  0.370599D+01  0.435466D+01
                86            87            88            89            90 
      1  -0.649567D+00 -0.125290D+00  0.443319D+01 -0.109613D+01 -0.522517D+00
      2   0.104459D+02  0.334111D+01 -0.235489D+01  0.207066D+01 -0.122796D+01
      3  -0.979633D+01 -0.321582D+01 -0.207830D+01 -0.974522D+00  0.175048D+01
      4   0.207331D+02  0.878390D+01  0.551227D+01  0.894918D+01  0.874870D+01
      5   0.827810D+01  0.767653D+01  0.823821D+01  0.796420D+01  0.835876D+01
      6   0.102542D+02  0.835286D+01  0.397716D+01  0.906804D+01  0.772719D+01
                91            92            93            94            95 
      1   0.297012D+01 -0.280320D+01  0.660171D-01 -0.102534D+02 -0.269774D+01
      2  -0.452814D+00  0.410050D+00  0.152771D+01  0.616099D+01  0.262270D+01
      3  -0.251731D+01  0.239315D+01 -0.159373D+01  0.409243D+01  0.750387D-01
      4  -0.495282D+01  0.132152D+01 -0.197988D+01  0.132410D+01 -0.162753D+02
      5  -0.493164D+00 -0.198195D+01 -0.869291D-01 -0.717780D+01 -0.868631D+00
      6  -0.861234D+00  0.168637D+01 -0.994535D+00  0.313316D+01 -0.219448D+01
                96            97            98            99           100 
      1  -0.468157D+01 -0.215138D+01 -0.636353D+00 -0.153143D+01 -0.505234D+01
      2   0.555195D+01  0.158858D+01  0.541430D-01  0.155192D+01  0.860561D+01
      3  -0.870383D+00  0.562799D+00  0.582211D+00 -0.204920D-01 -0.355328D+01
      4   0.259967D+00 -0.304545D+01 -0.452741D-01 -0.310025D+01  0.785919D+01
      5  -0.785537D+01  0.635002D+00 -0.294412D+01  0.917889D+00  0.325548D+01
      6   0.275616D+01 -0.198859D+00  0.271921D+01 -0.290891D+01  0.228296D+01
               101           102           103           104           105 
      1  -0.119267D+02 -0.227065D+01 -0.771585D+01 -0.204255D+02 -0.424544D+01
      2   0.183482D+02  0.172873D+01  0.109191D+02  0.312516D+02  0.378065D+01
      3  -0.642155D+01  0.541923D+00 -0.320326D+01 -0.108260D+02  0.464791D+00
      4   0.758950D+01  0.281137D+00  0.708981D+01  0.569361D+01  0.119068D-01
      5   0.248185D+01  0.851703D+00  0.273405D+01  0.207784D+01 -0.642028D+00
      6   0.724815D+01  0.352225D+01  0.350668D+01  0.118145D+02  0.689677D+01
               106           107           108           109           110 
      1   0.100601D+01 -0.183566D+01 -0.180294D+01  0.425221D+01  0.919470D+00
      2  -0.551903D+00  0.150744D+01  0.175838D+01 -0.450051D+01 -0.156523D+01
      3  -0.454109D+00  0.328224D+00  0.445610D-01  0.248291D+00  0.645758D+00
      4   0.565905D-01 -0.291717D+00  0.457283D+00 -0.124319D+02  0.810675D+01
      5   0.213024D+01  0.174365D+00  0.647496D+00 -0.133121D+02  0.662849D+01
      6   0.156915D+00  0.532214D+01  0.184756D+01  0.106123D+02 -0.789521D+01
               111           112           113           114           115 
      1  -0.303809D+00  0.114085D+01 -0.381564D+01 -0.293823D+01  0.444149D+00
      2   0.403127D+01 -0.202440D+01  0.439220D+01  0.296379D+01  0.423248D+01
      3  -0.372746D+01  0.883553D+00 -0.576558D+00 -0.255574D-01 -0.467663D+01
      4   0.900059D+01  0.580928D+01 -0.515733D+01 -0.438602D+01  0.104529D+02
      5   0.127108D+02  0.266672D+01 -0.446059D+01 -0.304521D+01  0.139048D+02
      6  -0.123283D+02 -0.496427D+01  0.717099D+01  0.793407D+01 -0.124860D+02
               116           117           118           119           120 
      1  -0.471464D+01 -0.426573D+01  0.661151D+02 -0.592930D+01 -0.104806D+02
      2   0.268253D+01 -0.447486D+01 -0.326957D+02  0.109532D+01  0.525916D+01
      3   0.203210D+01  0.874059D+01 -0.334195D+02  0.483398D+01  0.522141D+01
      4  -0.713005D+01 -0.107779D+02 -0.169775D+02  0.107910D+02  0.213488D+01
      5  -0.715995D+01 -0.145759D+02 -0.595620D+01 -0.269101D-01  0.107442D+02
      6   0.120032D+02  0.164279D+02  0.307520D+01 -0.191829D-01 -0.327704D+01
               121           122           123           124           125 
      1   0.406040D+01  0.421451D+01 -0.857175D+00 -0.172355D+02  0.175409D+01
      2  -0.349748D+01 -0.619363D+00  0.157371D+01  0.891489D+01  0.714545D+00
      3  -0.562925D+00 -0.359515D+01 -0.716532D+00  0.832064D+01 -0.246864D+01
      4   0.702808D+01 -0.677702D+00 -0.270507D+01  0.506247D+01 -0.443052D+01
      5  -0.105417D+00 -0.236346D+01  0.588180D+00  0.101518D+02 -0.168990D+01
      6  -0.295614D+00  0.846286D+00  0.120846D+01 -0.260742D+01  0.162151D+01
               126           127           128           129           130 
      1   0.741357D+01 -0.347951D+01 -0.543483D+01 -0.399375D+01 -0.735191D+01
      2  -0.564324D+01  0.413673D+01  0.726364D+01  0.283408D+01  0.619355D+01
      3  -0.177033D+01 -0.657222D+00 -0.182881D+01  0.115968D+01  0.115836D+01
      4  -0.256063D+01  0.684751D+01 -0.322466D+01  0.100257D+01  0.334249D+01
      5  -0.410938D+01 -0.311790D+01 -0.907719D+00 -0.190700D+01 -0.168851D+01
      6   0.559942D+00  0.186088D+01  0.829610D+00  0.240043D+01  0.766522D+00
               131           132           133           134           135 
      1  -0.149988D+02 -0.436420D+01 -0.590922D+01 -0.426080D+01 -0.522197D+01
      2   0.245930D+02  0.704249D+01  0.317702D+01  0.765337D+01  0.339354D+01
      3  -0.959423D+01 -0.267829D+01  0.273219D+01 -0.339257D+01  0.182843D+01
      4  -0.144902D+02 -0.328598D+01  0.266238D+01 -0.638255D+01 -0.350192D+01
      5  -0.519906D+01 -0.626623D+01  0.250576D+00 -0.507183D+01 -0.173348D+01
      6   0.420498D+01  0.617227D+01  0.805454D+00  0.597169D+01  0.328017D+01
               136           137           138           139           140 
      1   0.533803D+01 -0.193020D+01  0.315872D+01 -0.283624D+00 -0.456815D+01
      2  -0.466488D+01  0.151219D+01 -0.225771D+01  0.503625D+00  0.301655D+01
      3  -0.673155D+00  0.418009D+00 -0.901005D+00 -0.220001D+00  0.155160D+01
      4  -0.280180D+01  0.135787D+01 -0.271116D+01  0.240840D+01 -0.457438D+01
      5   0.446713D+01 -0.221214D+01  0.766041D+01 -0.226635D+01  0.518449D+01
      6  -0.175622D+01  0.798931D+00 -0.156345D+01  0.170502D+01 -0.487288D+01
               141           142           143           144           145 
      1   0.225512D+01  0.588574D+01  0.229014D+01 -0.937499D+01  0.329811D+02
      2  -0.966853D+00 -0.539045D+01 -0.329141D+00 -0.132137D+02 -0.226896D+02
      3  -0.128827D+01 -0.495285D+00 -0.196100D+01  0.225887D+02 -0.102915D+02
      4   0.556528D+01 -0.646240D+01  0.886017D+01 -0.915524D+01  0.151049D+02
      5  -0.664376D+01  0.130227D+02 -0.107907D+02  0.358118D+02 -0.332344D+02
      6   0.926352D+01 -0.376636D+01  0.105348D+02 -0.187655D+02 -0.685645D+01
               146           147           148           149           150 
      1   0.292162D+01 -0.916462D+01  0.250781D+01  0.111462D+01 -0.436187D+00
      2  -0.127511D+01  0.128848D+02 -0.974418D+00 -0.111398D+00 -0.573701D+00
      3  -0.164651D+01 -0.372020D+01 -0.153339D+01 -0.100322D+01  0.100989D+01
      4   0.921861D+01 -0.762305D+01  0.771478D+01  0.395198D+01 -0.421306D+01
      5  -0.578958D+01  0.228145D+02 -0.361118D+01 -0.431051D+01  0.210506D+01
      6  -0.528637D+01  0.616765D+01 -0.346139D+01 -0.309793D+01  0.464159D+01
               151           152           153           154           155 
      1  -0.578480D+01 -0.624681D+00  0.404205D+01 -0.389100D+01  0.822270D+01
      2   0.872148D+01  0.245953D+00 -0.916956D+01  0.335193D+01 -0.812750D+01
      3  -0.293668D+01  0.378727D+00  0.512751D+01  0.539062D+00 -0.951997D-01
      4  -0.485600D+01 -0.308402D+01  0.394612D+01 -0.116462D+01  0.932672D+00
      5   0.166796D+02  0.267546D+01 -0.136840D+02  0.141292D+01 -0.275768D+01
      6   0.422929D+01  0.395760D+01 -0.356928D+01 -0.484467D+01  0.847388D+01
               156           157           158           159           160 
      1  -0.664850D+01  0.762392D+01 -0.199835D+02  0.855668D+01 -0.377432D+01
      2   0.163898D+01 -0.763879D+01  0.221817D+02 -0.376344D+01  0.114632D+01
      3   0.500953D+01  0.148732D-01 -0.219817D+01 -0.479324D+01  0.262801D+01
      4  -0.460493D+00  0.258711D+01  0.614832D+01 -0.369640D+01 -0.944030D+00
      5   0.172284D+01 -0.460457D+01  0.533208D+00  0.216978D+01  0.294302D+01
      6  -0.503661D+01  0.570449D+01 -0.196513D+02  0.128781D+02 -0.321969D+01
               161           162           163           164           165 
      1   0.594514D+01 -0.672517D+01 -0.218437D+01 -0.124366D+01 -0.665933D+01
      2  -0.289262D+01  0.192655D+01 -0.198077D+01 -0.212907D+01 -0.196555D+01
      3  -0.305252D+01  0.479862D+01  0.416514D+01  0.337273D+01  0.862488D+01
      4  -0.144873D+01  0.412406D+00  0.160844D+00 -0.854996D+00 -0.142265D+01
      5  -0.177506D+00  0.523311D+00  0.916399D+00  0.161727D+01  0.275283D+01
      6   0.991193D+01 -0.647056D+01  0.185426D+01  0.480323D+01  0.205844D+01
               166           167           168           169           170 
      1  -0.281018D+01 -0.758155D+01 -0.816030D+01 -0.462609D+01 -0.484797D+01
      2  -0.570047D+00  0.234915D+00 -0.607188D+01 -0.735302D+00 -0.441048D+01
      3   0.338022D+01  0.734664D+01  0.142322D+02  0.536140D+01  0.925845D+01
      4  -0.582558D+00 -0.543055D+01 -0.356380D+01 -0.156047D+01 -0.324452D+01
      5   0.354127D+01  0.798739D-01 -0.423808D+01  0.445553D+01 -0.338510D+00
      6   0.375491D+01  0.100750D+02  0.783253D+01  0.226402D+01  0.781326D+01
               171 
      1  -0.986921D+01
      2  -0.764568D+01
      3   0.175149D+02
      4  -0.281319D+01
      5  -0.222183D+01
      6   0.632899D+01
 Leave Link  716 at Fri Aug 13 11:06:38 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.791733D+02 -0.257184D+01  0.178200D+01
      2  -0.257184D+01  0.813072D+02 -0.138217D+01
      3   0.178200D+01 -0.138217D+01  0.716697D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.184031D+01  0.176044D+01  0.740570D+01
      2   0.105208D+02  0.209668D+01 -0.269404D+02
      3  -0.102143D+02  0.128028D+02 -0.742204D-01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.741801D+02  0.105384D+02  0.205422D+02
      2   0.409283D+02 -0.707609D+01 -0.152530D+02
      3   0.332518D+02 -0.346227D+01 -0.528923D+01
      4  -0.111224D+02 -0.248480D+02  0.120316D+02
      5   0.150469D+02  0.918539D+01 -0.509114D+02
      6   0.114894D+02 -0.116407D+02 -0.199082D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.506397D+01  0.148768D+01 -0.398693D+01  0.117901D+01 -0.344695D+01
      2   0.148768D+01 -0.346113D+01 -0.695149D+00 -0.344695D+01  0.158613D+01
      3  -0.398693D+01 -0.695149D+00  0.254776D+00 -0.469261D+00 -0.275649D+01
                 6             7             8             9            10 
      1  -0.469261D+00 -0.307741D+01 -0.511341D+00 -0.190091D+00 -0.465907D+01
      2  -0.275649D+01 -0.511341D+00 -0.206143D+01 -0.230667D+01 -0.203962D+00
      3  -0.184090D+01 -0.190091D+00 -0.230667D+01  0.264907D+01  0.311200D+01
                11            12            13            14            15 
      1  -0.203962D+00  0.311200D+01  0.915882D+00  0.426163D+01  0.746399D+00
      2   0.361866D+01  0.814186D+00  0.426163D+01  0.130444D+01  0.296988D+01
      3   0.814186D+00  0.321095D+00  0.746399D+00  0.296988D+01  0.273672D+01
                16            17            18            19            20 
      1   0.457051D+01  0.975022D+00  0.258165D+00  0.444407D+01  0.572610D-01
      2   0.975022D+00  0.291945D+01  0.341287D+01  0.572610D-01 -0.185042D+01
      3   0.258165D+00  0.341287D+01 -0.347212D+01 -0.194009D+01 -0.120266D+01
                21            22            23            24            25 
      1  -0.194009D+01  0.118273D+00 -0.256614D+01 -0.103158D+01 -0.244907D+01
      2  -0.120266D+01 -0.256614D+01  0.434430D+00  0.119232D+00 -0.128814D+01
      3   0.565128D+00 -0.103158D+01  0.119232D+00 -0.241340D+01  0.106680D+01
                26            27            28            29            30 
      1  -0.128814D+01  0.106680D+01 -0.427722D-01  0.715082D+00  0.512918D-01
      2  -0.589964D+00 -0.289889D+01  0.715082D+00  0.211083D+01  0.115961D+01
      3  -0.289889D+01  0.414237D+01  0.512918D-01  0.115961D+01  0.382367D+00
                31            32            33            34            35 
      1  -0.123501D+01  0.114593D+00  0.864689D+00 -0.955967D+00  0.122291D+01
      2   0.114593D+00 -0.599641D+01  0.124460D+01  0.122291D+01  0.199492D+01
      3   0.864689D+00  0.124460D+01  0.642661D+00 -0.314109D+00  0.125143D+01
                36            37            38            39            40 
      1  -0.314109D+00  0.533546D+01 -0.864659D+00  0.198748D+01  0.587639D+00
      2   0.125143D+01 -0.864659D+00  0.429395D+00 -0.396731D-01  0.183195D+01
      3  -0.239186D+00  0.198748D+01 -0.396731D-01  0.129971D+01  0.110325D+01
                41            42            43            44            45 
      1   0.183195D+01  0.110325D+01  0.263938D+01 -0.131499D-01  0.222585D+01
      2   0.381835D+01  0.187826D+01 -0.131499D-01  0.586284D+00 -0.582738D+00
      3   0.187826D+01  0.101531D+01  0.222585D+01 -0.582738D+00  0.337734D+01
                46            47            48            49            50 
      1   0.489009D+01  0.351865D+00 -0.292393D+01  0.112964D+01 -0.328523D+01
      2   0.351865D+00 -0.324952D+01 -0.374643D+00 -0.328523D+01 -0.550873D+00
      3  -0.292393D+01 -0.374643D+00  0.339210D+00 -0.535129D+00 -0.194849D+01
                51            52            53            54            55 
      1  -0.535129D+00 -0.340356D+01 -0.376823D+00  0.975696D+00  0.949680D+00
      2  -0.194849D+01 -0.376823D+00 -0.163519D+01 -0.268022D+01  0.587763D+00
      3  -0.198956D+01  0.975696D+00 -0.268022D+01  0.598111D+01  0.186125D+01
                56            57            58            59            60 
      1   0.587763D+00  0.186125D+01  0.333548D+00  0.322618D+01  0.536641D-02
      2   0.353320D+01  0.228128D+00  0.322618D+01 -0.282392D+00  0.831081D+00
      3   0.228128D+00 -0.178253D+01  0.536641D-02  0.831081D+00  0.569556D+00
                61            62            63            64            65 
      1   0.281790D+01 -0.107899D+01 -0.229776D+01 -0.218852D+01  0.285965D+01
      2  -0.107899D+01  0.198473D+01  0.887102D+00  0.285965D+01  0.108223D+00
      3  -0.229776D+01  0.887102D+00  0.177825D+01 -0.562683D+00 -0.444425D+00
                66            67            68            69            70 
      1  -0.562683D+00  0.413489D+01  0.111227D+01 -0.489666D-01 -0.242009D+00
      2  -0.444425D+00  0.111227D+01  0.135119D+02 -0.131293D+01 -0.501537D+00
      3  -0.282457D+00 -0.489666D-01 -0.131293D+01  0.215842D+01  0.226838D+00
                71            72            73            74            75 
      1  -0.501537D+00  0.226838D+00 -0.127950D+01  0.477060D+00 -0.848551D+00
      2  -0.851407D+00  0.258175D+01  0.477060D+00 -0.595476D-01  0.165501D+00
      3   0.258175D+01 -0.869199D+00 -0.848551D+00  0.165501D+00 -0.440238D+00
                76            77            78            79            80 
      1   0.694416D+00  0.945522D-01  0.152411D+00 -0.131458D+01  0.481323D+00
      2   0.945522D-01  0.119330D+01 -0.157333D+01  0.481323D+00 -0.193506D+01
      3   0.152411D+00 -0.157333D+01  0.197206D+01 -0.153055D+00  0.167748D+01
                81            82            83            84            85 
      1  -0.153055D+00 -0.219816D+01 -0.161228D+01 -0.165793D+01 -0.238159D+01
      2   0.167748D+01 -0.161228D+01 -0.232556D+01 -0.769913D+00 -0.246101D+01
      3  -0.755087D+01 -0.165793D+01 -0.769913D+00 -0.131906D+01 -0.771223D+00
                86            87            88            89            90 
      1  -0.246101D+01 -0.771223D+00 -0.229564D+01 -0.816398D+00 -0.121711D+01
      2  -0.496572D+01 -0.209876D+01 -0.816398D+00 -0.233495D+01 -0.211064D+01
      3  -0.209876D+01 -0.215936D+01 -0.121711D+01 -0.211064D+01 -0.193544D+01
                91            92            93            94            95 
      1   0.110170D+01 -0.733867D+00  0.615126D-01 -0.237044D+01 -0.167628D-01
      2  -0.733867D+00  0.294433D-01 -0.536958D+00 -0.167628D-01 -0.502372D+01
      3   0.615126D-01 -0.536958D+00  0.120325D+00 -0.164826D+01 -0.541944D+00
                96            97            98            99           100 
      1  -0.164826D+01  0.886006D-01 -0.564686D+00  0.732732D-01 -0.223873D+01
      2  -0.541944D+00 -0.564686D+00 -0.249649D+00 -0.922542D+00 -0.179318D+01
      3  -0.227885D+01  0.732732D-01 -0.922542D+00  0.723223D+00 -0.107489D-01
               101           102           103           104           105 
      1  -0.179318D+01 -0.107489D-01 -0.205892D+01 -0.198929D+01 -0.251461D+00
      2  -0.398495D+01 -0.668488D+00 -0.198929D+01 -0.636635D+01 -0.115180D+01
      3  -0.668488D+00 -0.631609D+00 -0.251461D+00 -0.115180D+01 -0.120225D+01
               106           107           108           109           110 
      1   0.200586D+00  0.276288D-01  0.637033D-01  0.354201D+01 -0.163226D+01
      2   0.276288D-01 -0.489624D+00 -0.712154D+00 -0.163226D+01  0.164390D+01
      3   0.637033D-01 -0.712154D+00 -0.215387D+00 -0.232648D+01  0.123034D+01
               111           112           113           114           115 
      1  -0.232648D+01 -0.705107D+00  0.983584D+00  0.587555D+00 -0.299364D+01
      2   0.123034D+01  0.983584D+00 -0.144671D+01 -0.113636D+01  0.150525D+01
      3   0.296982D+01  0.587555D+00 -0.113636D+01 -0.973070D+00  0.291774D+01
               116           117           118           119           120 
      1   0.150525D+01  0.291774D+01 -0.976997D+01  0.131084D+01  0.158763D+01
      2  -0.197895D+01 -0.200455D+01  0.131084D+01 -0.119161D+01 -0.217325D-02
      3  -0.200455D+01 -0.369498D+01  0.158763D+01 -0.217325D-02 -0.156622D+01
               121           122           123           124           125 
      1  -0.685095D+00 -0.665078D+00  0.587207D-01  0.277412D+01 -0.460870D+00
      2  -0.665078D+00  0.816946D-01  0.489361D+00 -0.460870D+00  0.794147D+00
      3   0.587207D-01  0.489361D+00 -0.848739D-01 -0.153907D+01  0.359077D+00
               126           127           128           129           130 
      1  -0.153907D+01  0.346274D+01  0.578902D+00  0.873616D+00  0.163641D+01
      2   0.359077D+00  0.578902D+00  0.201455D+01  0.371239D+00  0.675256D+00
      3   0.491155D+00  0.873616D+00  0.371239D+00  0.762048D+00  0.341834D+00
               131           132           133           134           135 
      1   0.675256D+00  0.341834D+00  0.123082D+01  0.942816D-01  0.209760D+00
      2   0.514242D+01  0.127113D+01  0.942816D-01  0.220346D+01  0.144953D+01
      3   0.127113D+01  0.157029D+01  0.209760D+00  0.144953D+01  0.737923D+00
               136           137           138           139           140 
      1  -0.103690D+01  0.349098D+00 -0.858821D+00  0.152924D+00 -0.776783D-01
      2   0.349098D+00  0.172533D+00  0.193841D+00 -0.776783D-01  0.117952D+01
      3  -0.858821D+00  0.193841D+00 -0.593577D+00  0.365775D+00 -0.121027D+01
               141           142           143           144           145 
      1   0.365775D+00 -0.179169D+01  0.853543D+00 -0.158876D+01 -0.754385D+01
      2  -0.121027D+01  0.853543D+00 -0.201301D+01  0.241948D+01 -0.116360D+01
      3   0.143140D+01 -0.158876D+01  0.241948D+01 -0.808305D+01  0.353573D+01
               146           147           148           149           150 
      1  -0.116360D+01  0.353573D+01 -0.908136D+00 -0.762099D+00  0.427662D+00
      2  -0.111934D+01  0.785332D+00 -0.762099D+00 -0.781624D+00  0.880689D+00
      3   0.785332D+00 -0.321203D+01  0.427662D+00  0.880689D+00 -0.168389D+00
               151           152           153           154           155 
      1   0.227803D+01  0.418701D+00 -0.204959D+01  0.126298D+01 -0.149480D+01
      2   0.418701D+00  0.632010D+00 -0.237574D+00 -0.149480D+01  0.224220D+01
      3  -0.204959D+01 -0.237574D+00  0.191851D+01  0.875440D+00 -0.768976D+00
               156           157           158           159           160 
      1   0.875440D+00 -0.185237D+01  0.185037D+01 -0.330227D+00  0.730185D+00
      2  -0.768976D+00  0.185037D+01 -0.551624D+01  0.223162D+01 -0.420958D+00
      3   0.130728D+01 -0.330227D+00  0.223162D+01 -0.216034D+01  0.641043D+00
               161           162           163           164           165 
      1  -0.420958D+00  0.641043D+00  0.904753D+00  0.723401D+00  0.117022D+01
      2   0.143548D+01 -0.113572D+01  0.723401D+00  0.133915D+01  0.554883D+00
      3  -0.113572D+01  0.108727D+01  0.117022D+01  0.554883D+00  0.150595D+01
               166           167           168           169           170 
      1   0.131403D+01  0.111985D+01  0.432444D+00  0.119345D+01  0.454233D+00
      2   0.111985D+01  0.267787D+01  0.181452D+01  0.454233D+00  0.158874D+01
      3   0.432444D+00  0.181452D+01  0.317459D+01  0.690669D+00  0.155298D+01
               171 
      1   0.690669D+00
      2   0.155298D+01
      3   0.317404D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.577301D+00 -0.703212D+01 -0.903019D+00 -0.626466D+01  0.194518D+01
      2  -0.241545D+01 -0.252338D+01  0.104552D+02 -0.195610D+01  0.101594D+02
      3  -0.188706D+01 -0.823478D+01  0.226649D+01 -0.428588D+01  0.472926D+01
                 6             7             8             9            10 
      1  -0.997364D+01 -0.105676D+01 -0.402595D+01 -0.275651D+00  0.159338D+01
      2   0.353554D+01  0.415330D+01  0.417835D+01 -0.419309D+01 -0.800369D+01
      3  -0.361554D+01  0.153026D+01 -0.241991D+01 -0.318370D+01  0.212094D+01
                11            12            13            14            15 
      1   0.531783D-01  0.900062D-01  0.473912D-01  0.616579D+00 -0.338642D+01
      2  -0.210525D+01  0.402849D+01  0.161307D+01 -0.235045D+01 -0.311300D+01
      3   0.301729D+01  0.166778D+01  0.899019D+01 -0.117698D+01  0.347349D+01
                16            17            18            19            20 
      1  -0.144180D+01  0.249675D+01 -0.203757D+01 -0.188764D+01  0.174979D+01
      2  -0.143241D+01 -0.216910D+01  0.474586D+01  0.157976D+01  0.494675D+00
      3  -0.144137D+01  0.274183D+01  0.392097D+01 -0.763521D+00 -0.356125D+01
                21            22            23            24            25 
      1  -0.966875D+00  0.399232D+01 -0.177496D+00  0.304487D+00  0.229768D+01
      2  -0.930854D+00 -0.969025D+00 -0.196579D+01  0.212674D+01 -0.741480D+01
      3   0.144285D-01  0.361249D+01 -0.683986D+00 -0.259464D+01  0.125865D+01
                26            27            28            29            30 
      1   0.394047D+01  0.253012D+01 -0.110971D+01 -0.433052D+01  0.577190D+00
      2  -0.134256D+01  0.312239D+01  0.114221D+02  0.408433D+01  0.225612D+01
      3  -0.972699D+00  0.158946D-01 -0.320343D+01 -0.754928D+01 -0.236926D+01
                31            32            33            34            35 
      1  -0.370485D+01  0.373106D+00  0.662214D+01  0.253760D+01  0.712754D+01
      2  -0.705730D+00  0.137613D+01 -0.743468D+00 -0.884937D+01 -0.246454D+01
      3  -0.620846D+01  0.859665D+01  0.221192D+01 -0.258875D+00  0.371194D+01
                36            37            38            39            40 
      1  -0.142476D+01 -0.781667D+00  0.365272D+01  0.590726D+00  0.284382D+01
      2  -0.884194D+01 -0.171371D+01 -0.133432D+01  0.518827D+01  0.216728D+00
      3  -0.105731D+00  0.201910D+01 -0.681965D+01  0.827776D+00 -0.151424D+01
                41            42            43            44            45 
      1   0.824567D+01  0.255605D+00 -0.996709D+00  0.484634D+01 -0.337579D+00
      2   0.325841D+01  0.305146D+01  0.224869D+01  0.977695D+00  0.878337D+01
      3  -0.127676D+02 -0.593181D+01 -0.172829D+01 -0.550167D+01  0.770835D+00
                46            47            48            49            50 
      1   0.314022D+01  0.254655D+01 -0.390054D+00  0.234650D+01  0.215789D+01
      2   0.985551D+01  0.118357D+01 -0.757547D+00  0.148352D+01  0.266289D+01
      3   0.611287D+01 -0.112230D+02 -0.440615D+01 -0.472952D+01 -0.591714D+01
                51            52            53            54            55 
      1   0.173851D+01 -0.237517D+01  0.692164D+01 -0.703433D+01  0.390699D+01
      2   0.447425D+01 -0.664035D+01  0.638374D+01 -0.130550D+02  0.303709D+01
      3  -0.529450D+01 -0.450068D+01 -0.484442D+01 -0.502099D+01 -0.362571D+01
                56            57            58            59            60 
      1  -0.343373D+01 -0.311721D+01 -0.340085D+01  0.341546D+01 -0.367276D+01
      2  -0.701847D+00  0.239097D+01 -0.894151D+00  0.404471D+01 -0.112823D+01
      3  -0.116466D+02 -0.427301D+01 -0.146401D+01 -0.647886D+01 -0.118039D+01
                61            62            63            64            65 
      1  -0.536167D+01  0.550032D+01  0.367363D+01  0.150620D+01  0.458171D+00
      2  -0.493555D+01  0.114859D+01  0.165933D+01 -0.355987D+01 -0.153870D+01
      3  -0.296871D+01 -0.589843D+00  0.413105D+01 -0.779105D+01  0.718484D+00
                66            67            68            69            70 
      1  -0.715839D+00 -0.914528D+00 -0.105639D+01 -0.125241D+02 -0.704692D+00
      2   0.149011D+01  0.326644D+01 -0.335225D+00  0.249599D+01 -0.141364D+01
      3   0.581187D+00  0.136750D+02 -0.157787D+02  0.144064D+01  0.953965D+00
                71            72            73            74            75 
      1  -0.267180D+00  0.581533D+00 -0.737656D+00  0.441629D+00 -0.179840D+00
      2   0.467957D+01  0.113374D+01 -0.142726D+01  0.624640D+00  0.182363D-01
      3  -0.229628D+00 -0.432584D+01  0.315753D+00 -0.478648D+00  0.495643D+00
                76            77            78            79            80 
      1  -0.104497D+00 -0.210822D+01  0.457817D+00 -0.906122D+00  0.466026D+01
      2   0.153987D+01 -0.608701D+00 -0.109232D+00 -0.366602D+01  0.798739D+00
      3   0.164413D+01 -0.102846D-01  0.792794D+00 -0.339741D+00  0.134765D+00
                81            82            83            84            85 
      1  -0.155332D+01 -0.461653D+00  0.617180D+00 -0.128001D+01  0.469212D+00
      2  -0.924858D-01  0.936459D+00  0.490906D+00  0.242300D+01 -0.155877D+01
      3  -0.349971D+00 -0.391471D+00 -0.412222D+01 -0.205922D+00  0.113397D+01
                86            87            88            89            90 
      1   0.106328D+01 -0.243805D+01 -0.270171D+00  0.139401D+01 -0.714621D+00
      2   0.129398D+01  0.344730D+01 -0.154468D+01  0.220351D+01  0.220613D+01
      3  -0.628306D+01 -0.280487D+01  0.166774D+01 -0.315670D+01 -0.234624D+01
                91            92            93            94            95 
      1  -0.110471D+00 -0.226396D+01  0.190121D+00 -0.226250D+01 -0.102586D+02
      2   0.196845D+01  0.485781D-01  0.601617D-01 -0.811192D+00 -0.166226D+01
      3   0.345093D-01  0.755827D+00  0.830262D+00  0.238010D+01  0.163463D+02
                96            97            98            99           100 
      1  -0.341010D+01 -0.529759D+00 -0.981113D+00  0.934465D+00  0.104366D+01
      2  -0.497777D+01 -0.861229D+00 -0.246621D+01 -0.166920D+00 -0.183472D+01
      3   0.394675D+01  0.380482D+00  0.297696D+01  0.231681D+01  0.871923D+01
               101           102           103           104           105 
      1   0.200077D+01 -0.198719D+01  0.482829D+00  0.259515D+01 -0.283821D+01
      2  -0.834959D+00  0.678514D+00 -0.151982D+01 -0.169236D+01 -0.195280D+00
      3   0.608337D+01  0.309809D+00  0.760847D+01  0.945101D+01  0.203273D+01
               106           107           108           109           110 
      1   0.221907D+00 -0.140298D-01  0.623429D+00 -0.338658D+01  0.108679D+01
      2   0.705368D-01 -0.182329D+00  0.392375D+00  0.505095D+00  0.455317D+00
      3  -0.725072D+00  0.349386D+00  0.220702D+00 -0.522258D+01  0.728822D+00
               111           112           113           114           115 
      1   0.607419D+01  0.494843D+00 -0.100004D+01 -0.180971D+01  0.467576D+01
      2   0.287280D+01 -0.583839D-01 -0.270977D+00 -0.835149D+00 -0.436516D+00
      3   0.321145D+01  0.144148D+01  0.174787D+00 -0.181654D+00  0.468936D+01
               116           117           118           119           120 
      1  -0.119186D+01 -0.594244D+01 -0.253208D+01  0.546847D-01  0.203883D+01
      2  -0.112976D+01 -0.276128D+01 -0.801022D+01  0.416807D+00  0.732878D+01
      3  -0.228156D+00 -0.395234D+01 -0.809431D+01 -0.436050D+01  0.208510D+01
               121           122           123           124           125 
      1   0.398623D+00 -0.561092D+00 -0.887449D+00  0.148117D+01  0.285238D+00
      2  -0.166985D+00 -0.166363D+01  0.365429D+00  0.385292D+01 -0.758199D+00
      3  -0.111229D+01 -0.702715D+00  0.136351D+01  0.198032D+01  0.245597D+01
               126           127           128           129           130 
      1  -0.816350D+00 -0.178424D+01 -0.104297D+01 -0.175443D+01 -0.111076D+01
      2  -0.252060D+01 -0.130429D+01 -0.703865D+00 -0.654494D+00 -0.650439D+00
      3  -0.587687D+00  0.116558D+02  0.484694D+01  0.257340D+01  0.717433D+01
               131           132           133           134           135 
      1  -0.367095D+01 -0.454044D+01 -0.486406D+00 -0.146341D+01 -0.208105D+01
      2  -0.258159D+01 -0.294901D+01 -0.143593D+01 -0.277825D+01 -0.139129D+01
      3   0.130093D+02  0.404149D+01  0.255593D+01  0.531199D+01  0.364697D+01
               136           137           138           139           140 
      1   0.581520D+00 -0.426434D+00  0.577413D+00 -0.503613D+00  0.169003D+00
      2   0.119350D+01 -0.536521D+00  0.174190D+01 -0.382547D+00  0.247410D+01
      3  -0.491263D-01  0.132422D+00 -0.938404D-01  0.138859D+01  0.262906D+01
               141           142           143           144           145 
      1  -0.204819D+01  0.707588D+00  0.143989D+01  0.827427D+01  0.106117D+01
      2  -0.313636D+01 -0.884049D+00 -0.420442D+01  0.170070D+02  0.792068D+01
      3  -0.222981D+01 -0.637735D+00 -0.408446D+01  0.419579D+01  0.480701D+01
               146           147           148           149           150 
      1  -0.216575D+01 -0.165906D+01 -0.398215D+00 -0.297988D+00  0.162150D+00
      2   0.391708D+00  0.204616D+01  0.976863D+00 -0.573806D+00 -0.279932D+00
      3  -0.311922D+01 -0.132871D+01  0.613486D+00 -0.744034D+00  0.875024D+00
               151           152           153           154           155 
      1  -0.933231D+00  0.198278D+01  0.108645D+01 -0.196458D+01  0.420779D+01
      2  -0.252225D+01 -0.600892D+00 -0.770912D-01 -0.479575D+01  0.378924D+01
      3  -0.131326D+01  0.124950D+01  0.139944D+01 -0.439808D+01  0.349400D+01
               156           157           158           159           160 
      1   0.115129D+01  0.378793D+01 -0.788250D+01 -0.109190D+01  0.618719D-01
      2  -0.174545D+01  0.477931D+01 -0.667078D+01  0.263258D+01 -0.310608D+01
      3  -0.142997D+01  0.661026D+01 -0.829906D+01  0.263194D+01 -0.140695D+01
               161           162           163           164           165 
      1   0.235103D+01 -0.576983D+00  0.250046D+01  0.382621D+01  0.166378D+01
      2   0.228136D+01 -0.190211D+01 -0.446359D+01 -0.239202D+01 -0.305262D+01
      3   0.188079D+01 -0.222496D+01  0.928934D+00  0.682429D+00 -0.651078D-01
               166           167           168           169           170 
      1   0.291090D+01  0.712302D+01  0.324249D+01  0.179108D+01  0.565280D+01
      2  -0.420266D+01 -0.489404D+01 -0.466186D+01 -0.477487D+01 -0.326939D+01
      3   0.263424D+01  0.262021D+01  0.191290D+01  0.303975D+00  0.121435D+01
               171 
      1   0.439937D+01
      2  -0.493834D+01
      3   0.147902D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.129941D+02 -0.787763D+01  0.166714D+02 -0.722246D+01  0.181815D+02
      2   0.127259D+02  0.120771D+02 -0.861593D+01  0.108591D+02 -0.867541D+01
      3   0.268229D+00 -0.419949D+01 -0.805545D+01 -0.363660D+01 -0.950609D+01
      4  -0.104539D+02  0.485800D+01  0.711961D+01  0.595709D+01  0.175459D+01
      5   0.241089D+02  0.517607D+01 -0.117149D+02  0.353720D+01 -0.196633D+01
      6   0.835780D+01 -0.922193D+01 -0.337006D+01 -0.859451D+01  0.606530D+01
                 6             7             8             9            10 
      1   0.414858D+01  0.125694D+02  0.397374D+01 -0.729840D+01  0.976258D+01
      2   0.814092D+01 -0.609557D+01  0.667240D+01 -0.166865D+01 -0.114398D+02
      3  -0.122895D+02 -0.647385D+01 -0.106461D+02  0.896706D+01  0.167721D+01
      4   0.492952D+01  0.588715D+01  0.393752D+01  0.545354D+01 -0.444314D+01
      5   0.161496D+01 -0.877195D+01  0.345054D+01 -0.580357D+01 -0.104256D+02
      6  -0.717197D+01 -0.210699D+01 -0.507708D+01 -0.802271D+01 -0.558131D+01
                11            12            13            14            15 
      1   0.525834D+00 -0.862585D+01  0.323674D+01 -0.103200D+02 -0.143265D+01
      2  -0.114161D+01  0.350294D+01 -0.241267D+01 -0.257498D+00 -0.347194D+01
      3   0.615773D+00  0.512291D+01 -0.824067D+00  0.105775D+02  0.490459D+01
      4  -0.143852D+02 -0.481554D+01 -0.144833D+02 -0.809650D+01 -0.109642D+02
      5  -0.281170D+01 -0.153969D+01 -0.112914D+01 -0.123324D+02 -0.718913D+01
      6  -0.491783D+01 -0.950316D+00 -0.511486D+01 -0.502724D+01 -0.307734D+01
                16            17            18            19            20 
      1  -0.103944D+02 -0.115589D+01  0.270509D+01 -0.733191D+01 -0.674795D+01
      2   0.390569D+01 -0.197805D+01 -0.214352D+01  0.725331D+01  0.813440D+01
      3   0.648873D+01  0.313394D+01 -0.561567D+00  0.786018D-01 -0.138645D+01
      4  -0.261382D+01 -0.917640D+01 -0.103536D+02  0.534432D+01  0.318977D+00
      5  -0.258853D+01 -0.952501D+01  0.765649D+01  0.625360D+00 -0.134429D+01
      6  -0.189213D+01 -0.515240D+01 -0.171007D+00  0.426969D+01  0.471121D+01
                21            22            23            24            25 
      1   0.139029D+00 -0.343571D+01  0.328034D+01 -0.385030D+01  0.437523D+01
      2   0.252772D+00  0.355359D+01 -0.708441D+00 -0.469690D+01 -0.248393D+00
      3  -0.391801D+00 -0.117881D+00 -0.257190D+01  0.854719D+01 -0.412684D+01
      4   0.615567D+00 -0.410518D+01  0.879545D+01  0.120755D+01 -0.592609D+00
      5  -0.763706D+00 -0.164992D+01  0.275459D+01  0.444767D+01  0.196377D+01
      6   0.361549D+01  0.136050D+01 -0.270803D+00 -0.665517D+01 -0.593513D+00
                26            27            28            29            30 
      1  -0.608670D+01  0.736023D+01 -0.479350D+01  0.155266D+01 -0.627122D+00
      2  -0.595025D+00  0.125393D+02  0.120126D+01 -0.151610D+01  0.738395D+01
      3   0.668173D+01 -0.198996D+02  0.359224D+01 -0.365589D-01 -0.675683D+01
      4   0.326784D+01 -0.225978D+01  0.287406D+01  0.238590D+01  0.156106D+01
      5  -0.686760D+00 -0.866025D+00 -0.698440D+01  0.363369D+01 -0.202724D+01
      6   0.235486D+01  0.593088D+01 -0.153343D+01 -0.217391D+01  0.178637D+01
                31            32            33            34            35 
      1   0.665030D+01  0.192790D+02  0.828142D+00 -0.115284D+02  0.547530D+01
      2  -0.718376D+01 -0.354712D+02 -0.130150D+01  0.953631D+01 -0.101868D+01
      3   0.533464D+00  0.161922D+02  0.473362D+00  0.199209D+01 -0.445662D+01
      4  -0.150055D+02 -0.174828D+02  0.353627D+01  0.430401D+01 -0.354692D+00
      5   0.618246D+01  0.602952D+01 -0.620351D+00  0.154430D+00  0.154720D+01
      6   0.630101D+00  0.260444D+01 -0.111126D+02 -0.683043D+00  0.119480D+01
                36            37            38            39            40 
      1  -0.946416D+00  0.349692D+02 -0.206742D+01  0.716003D+01  0.220277D+01
      2  -0.184040D+01 -0.228417D+02  0.155797D+01 -0.955773D+01 -0.143707D+01
      3   0.278681D+01 -0.121275D+02  0.509445D+00  0.239770D+01 -0.765703D+00
      4   0.108827D+01 -0.262592D+01  0.826549D+01  0.593971D-01  0.129774D+02
      5  -0.831254D+01  0.141572D+02 -0.144815D+01  0.141467D+02  0.248811D+01
      6  -0.799161D+00  0.515744D+00  0.116222D+01 -0.235304D+01  0.489749D+00
                41            42            43            44            45 
      1   0.565539D+01  0.426617D+01  0.110069D+02 -0.381948D+00  0.300464D+01
      2  -0.172229D+01 -0.340282D+01 -0.109552D+02  0.873858D+00 -0.151138D+02
      3  -0.393310D+01 -0.863347D+00 -0.517249D-01 -0.491910D+00  0.121091D+02
      4   0.104586D+02  0.563988D+01 -0.268258D+01  0.401362D+01 -0.867069D+00
      5   0.592664D+01  0.278009D+01  0.156102D+02 -0.196492D+01  0.175368D+02
      6  -0.148301D+01  0.516671D+01  0.256613D+00  0.467790D+01 -0.256438D+00
                46            47            48            49            50 
      1  -0.359063D+02  0.487118D+01  0.170564D+02 -0.266316D+01  0.161023D+02
      2   0.191495D+02 -0.972386D+01 -0.970135D+01 -0.506665D+01 -0.953204D+01
      3   0.167567D+02  0.485268D+01 -0.735505D+01  0.772981D+01 -0.657026D+01
      4   0.319191D+01  0.119620D+02 -0.218631D+01  0.133499D+02 -0.382830D+01
      5   0.128925D+02  0.478012D+00 -0.505700D+00  0.796247D+00  0.967911D+01
      6  -0.500204D+01  0.413059D-01  0.378683D+00  0.864030D+00 -0.467348D+01
                51            52            53            54            55 
      1   0.294953D+01  0.207574D+02  0.135452D+01  0.441118D+01  0.104352D+02
      2  -0.876620D+01 -0.956090D+01 -0.838325D+01  0.598060D+01 -0.492261D+01
      3   0.581667D+01 -0.111965D+02  0.702873D+01 -0.103918D+02 -0.551255D+01
      4   0.609480D+01 -0.213341D+01  0.473196D+01  0.909397D+01 -0.381032D+01
      5   0.868617D+01 -0.331942D+01  0.101088D+02 -0.251410D+02  0.511990D+01
      6  -0.346888D+01  0.192692D+01 -0.389787D+01  0.121951D+02 -0.785493D+01
                56            57            58            59            60 
      1   0.118268D+02  0.247270D+01  0.797806D+01  0.199776D+01  0.211787D+01
      2  -0.203449D+02 -0.581331D+01 -0.146819D+02  0.337860D+01 -0.322122D+01
      3   0.851810D+01  0.334061D+01  0.670389D+01 -0.537636D+01  0.110335D+01
      4   0.218786D+01 -0.491445D+01  0.587460D+01 -0.171406D+02  0.233347D+01
      5  -0.339699D+01 -0.116523D+01 -0.211050D+01 -0.227492D+01 -0.501048D+00
      6  -0.289957D+01  0.551778D+01 -0.912063D+00 -0.477303D+01  0.414468D+01
                61            62            63            64            65 
      1  -0.481117D+00  0.284957D+01 -0.389180D+01  0.390792D+01  0.646888D+01
      2  -0.270528D+01 -0.522553D+01 -0.658853D+00  0.429012D+01 -0.287425D+01
      3   0.318640D+01  0.237597D+01  0.455065D+01 -0.819803D+01 -0.359464D+01
      4  -0.686446D+01  0.570873D+01  0.912000D+01  0.363079D+01  0.153676D+02
      5  -0.588716D+01  0.476126D+01  0.921480D+01 -0.945784D+00 -0.219345D+01
      6   0.108323D+02 -0.318217D+01 -0.699319D+01 -0.932426D+00 -0.132100D+01
                66            67            68            69            70 
      1   0.336282D+00  0.341376D+01 -0.349790D+02  0.235268D+01  0.638781D+00
      2  -0.132884D+01  0.169449D+01  0.647045D+02 -0.215524D+01 -0.200243D+01
      3   0.992553D+00 -0.510826D+01 -0.297255D+02 -0.197441D+00  0.136365D+01
      4  -0.209291D+01  0.215276D+02  0.323850D+02 -0.361427D+01 -0.200242D+01
      5   0.428261D+01 -0.163439D+01 -0.704461D+01  0.713551D+01  0.454088D+01
      6   0.885156D+00 -0.195033D+01 -0.412052D+01  0.179552D+02  0.159024D+01
                71            72            73            74            75 
      1  -0.177536D+00 -0.747875D+01  0.626397D+00  0.450789D+00 -0.746050D+00
      2  -0.134193D+01  0.606319D+01 -0.483998D+01  0.119553D+00 -0.102565D+01
      3   0.151946D+01  0.141556D+01  0.421359D+01 -0.570342D+00  0.177170D+01
      4  -0.202157D+01  0.632410D+01  0.646474D-01  0.132086D+01 -0.684614D+00
      5   0.707668D+01 -0.236517D+01  0.106967D+01 -0.153052D+01  0.599238D+01
      6   0.151341D+02 -0.236908D+01 -0.196822D+01  0.417405D-01 -0.164860D+00
                76            77            78            79            80 
      1   0.302845D+00 -0.401068D+01  0.453802D+01 -0.419528D+00  0.309726D+01
      2   0.811823D+00 -0.131449D+01  0.415420D+01 -0.181049D+01  0.462126D+01
      3  -0.111467D+01  0.532517D+01 -0.869222D+01  0.223001D+01 -0.771851D+01
      4   0.201269D+01  0.661295D+00 -0.151741D+00 -0.180120D+00 -0.185899D+01
      5  -0.116477D+01  0.277173D+00 -0.202749D+00  0.505962D+01  0.188913D-01
      6   0.805206D+00 -0.425318D+01  0.795272D+01 -0.105674D+01  0.633174D+01
                81            82            83            84            85 
      1  -0.177872D+02  0.983952D+01  0.477175D+01  0.483569D+01  0.433343D+01
      2  -0.181931D+02 -0.246828D+01 -0.106228D+00 -0.196633D+01  0.136188D+01
      3   0.359803D+02 -0.737124D+01 -0.466552D+01 -0.286936D+01 -0.569530D+01
      4   0.745234D+00  0.120120D+02  0.137874D+02  0.573406D+01  0.143466D+02
      5  -0.724511D-01  0.822614D+01  0.500353D+01  0.770104D+01  0.519649D+01
      6  -0.535393D+01  0.436213D+01  0.393835D+01  0.370599D+01  0.435466D+01
                86            87            88            89            90 
      1  -0.649567D+00 -0.125290D+00  0.443319D+01 -0.109613D+01 -0.522517D+00
      2   0.104459D+02  0.334111D+01 -0.235489D+01  0.207066D+01 -0.122796D+01
      3  -0.979633D+01 -0.321582D+01 -0.207830D+01 -0.974522D+00  0.175048D+01
      4   0.207331D+02  0.878390D+01  0.551227D+01  0.894918D+01  0.874870D+01
      5   0.827810D+01  0.767653D+01  0.823821D+01  0.796420D+01  0.835876D+01
      6   0.102542D+02  0.835286D+01  0.397716D+01  0.906804D+01  0.772719D+01
                91            92            93            94            95 
      1   0.297012D+01 -0.280320D+01  0.660171D-01 -0.102534D+02 -0.269774D+01
      2  -0.452814D+00  0.410050D+00  0.152771D+01  0.616099D+01  0.262270D+01
      3  -0.251731D+01  0.239315D+01 -0.159373D+01  0.409243D+01  0.750387D-01
      4  -0.495282D+01  0.132152D+01 -0.197988D+01  0.132410D+01 -0.162753D+02
      5  -0.493164D+00 -0.198195D+01 -0.869291D-01 -0.717780D+01 -0.868631D+00
      6  -0.861234D+00  0.168637D+01 -0.994535D+00  0.313316D+01 -0.219448D+01
                96            97            98            99           100 
      1  -0.468157D+01 -0.215138D+01 -0.636353D+00 -0.153143D+01 -0.505234D+01
      2   0.555195D+01  0.158858D+01  0.541430D-01  0.155192D+01  0.860561D+01
      3  -0.870383D+00  0.562799D+00  0.582211D+00 -0.204920D-01 -0.355328D+01
      4   0.259967D+00 -0.304545D+01 -0.452741D-01 -0.310025D+01  0.785919D+01
      5  -0.785537D+01  0.635002D+00 -0.294412D+01  0.917889D+00  0.325548D+01
      6   0.275616D+01 -0.198859D+00  0.271921D+01 -0.290891D+01  0.228296D+01
               101           102           103           104           105 
      1  -0.119267D+02 -0.227065D+01 -0.771585D+01 -0.204255D+02 -0.424544D+01
      2   0.183482D+02  0.172873D+01  0.109191D+02  0.312516D+02  0.378065D+01
      3  -0.642155D+01  0.541923D+00 -0.320326D+01 -0.108260D+02  0.464791D+00
      4   0.758950D+01  0.281137D+00  0.708981D+01  0.569361D+01  0.119068D-01
      5   0.248185D+01  0.851703D+00  0.273405D+01  0.207784D+01 -0.642028D+00
      6   0.724815D+01  0.352225D+01  0.350668D+01  0.118145D+02  0.689677D+01
               106           107           108           109           110 
      1   0.100601D+01 -0.183566D+01 -0.180294D+01  0.425221D+01  0.919470D+00
      2  -0.551903D+00  0.150744D+01  0.175838D+01 -0.450051D+01 -0.156523D+01
      3  -0.454109D+00  0.328224D+00  0.445610D-01  0.248291D+00  0.645758D+00
      4   0.565905D-01 -0.291717D+00  0.457283D+00 -0.124319D+02  0.810675D+01
      5   0.213024D+01  0.174365D+00  0.647496D+00 -0.133121D+02  0.662849D+01
      6   0.156915D+00  0.532214D+01  0.184756D+01  0.106123D+02 -0.789521D+01
               111           112           113           114           115 
      1  -0.303809D+00  0.114085D+01 -0.381564D+01 -0.293823D+01  0.444149D+00
      2   0.403127D+01 -0.202440D+01  0.439220D+01  0.296379D+01  0.423248D+01
      3  -0.372746D+01  0.883553D+00 -0.576558D+00 -0.255574D-01 -0.467663D+01
      4   0.900059D+01  0.580928D+01 -0.515733D+01 -0.438602D+01  0.104529D+02
      5   0.127108D+02  0.266672D+01 -0.446059D+01 -0.304521D+01  0.139048D+02
      6  -0.123283D+02 -0.496427D+01  0.717099D+01  0.793407D+01 -0.124860D+02
               116           117           118           119           120 
      1  -0.471464D+01 -0.426573D+01  0.661151D+02 -0.592930D+01 -0.104806D+02
      2   0.268253D+01 -0.447486D+01 -0.326957D+02  0.109532D+01  0.525916D+01
      3   0.203210D+01  0.874059D+01 -0.334195D+02  0.483398D+01  0.522141D+01
      4  -0.713005D+01 -0.107779D+02 -0.169775D+02  0.107910D+02  0.213488D+01
      5  -0.715995D+01 -0.145759D+02 -0.595620D+01 -0.269101D-01  0.107442D+02
      6   0.120032D+02  0.164279D+02  0.307520D+01 -0.191829D-01 -0.327704D+01
               121           122           123           124           125 
      1   0.406040D+01  0.421451D+01 -0.857175D+00 -0.172355D+02  0.175409D+01
      2  -0.349748D+01 -0.619363D+00  0.157371D+01  0.891489D+01  0.714545D+00
      3  -0.562925D+00 -0.359515D+01 -0.716532D+00  0.832064D+01 -0.246864D+01
      4   0.702808D+01 -0.677702D+00 -0.270507D+01  0.506247D+01 -0.443052D+01
      5  -0.105417D+00 -0.236346D+01  0.588180D+00  0.101518D+02 -0.168990D+01
      6  -0.295614D+00  0.846286D+00  0.120846D+01 -0.260742D+01  0.162151D+01
               126           127           128           129           130 
      1   0.741357D+01 -0.347951D+01 -0.543483D+01 -0.399375D+01 -0.735191D+01
      2  -0.564324D+01  0.413673D+01  0.726364D+01  0.283408D+01  0.619355D+01
      3  -0.177033D+01 -0.657222D+00 -0.182881D+01  0.115968D+01  0.115836D+01
      4  -0.256063D+01  0.684751D+01 -0.322466D+01  0.100257D+01  0.334249D+01
      5  -0.410938D+01 -0.311790D+01 -0.907719D+00 -0.190700D+01 -0.168851D+01
      6   0.559942D+00  0.186088D+01  0.829610D+00  0.240043D+01  0.766522D+00
               131           132           133           134           135 
      1  -0.149988D+02 -0.436420D+01 -0.590922D+01 -0.426080D+01 -0.522197D+01
      2   0.245930D+02  0.704249D+01  0.317702D+01  0.765337D+01  0.339354D+01
      3  -0.959423D+01 -0.267829D+01  0.273219D+01 -0.339257D+01  0.182843D+01
      4  -0.144902D+02 -0.328598D+01  0.266238D+01 -0.638255D+01 -0.350192D+01
      5  -0.519906D+01 -0.626623D+01  0.250576D+00 -0.507183D+01 -0.173348D+01
      6   0.420498D+01  0.617227D+01  0.805454D+00  0.597169D+01  0.328017D+01
               136           137           138           139           140 
      1   0.533803D+01 -0.193020D+01  0.315872D+01 -0.283624D+00 -0.456815D+01
      2  -0.466488D+01  0.151219D+01 -0.225771D+01  0.503625D+00  0.301655D+01
      3  -0.673155D+00  0.418009D+00 -0.901005D+00 -0.220001D+00  0.155160D+01
      4  -0.280180D+01  0.135787D+01 -0.271116D+01  0.240840D+01 -0.457438D+01
      5   0.446713D+01 -0.221214D+01  0.766041D+01 -0.226635D+01  0.518449D+01
      6  -0.175622D+01  0.798931D+00 -0.156345D+01  0.170502D+01 -0.487288D+01
               141           142           143           144           145 
      1   0.225512D+01  0.588574D+01  0.229014D+01 -0.937499D+01  0.329811D+02
      2  -0.966853D+00 -0.539045D+01 -0.329141D+00 -0.132137D+02 -0.226896D+02
      3  -0.128827D+01 -0.495285D+00 -0.196100D+01  0.225887D+02 -0.102915D+02
      4   0.556528D+01 -0.646240D+01  0.886017D+01 -0.915524D+01  0.151049D+02
      5  -0.664376D+01  0.130227D+02 -0.107907D+02  0.358118D+02 -0.332344D+02
      6   0.926352D+01 -0.376636D+01  0.105348D+02 -0.187655D+02 -0.685645D+01
               146           147           148           149           150 
      1   0.292162D+01 -0.916462D+01  0.250781D+01  0.111462D+01 -0.436187D+00
      2  -0.127511D+01  0.128848D+02 -0.974418D+00 -0.111398D+00 -0.573701D+00
      3  -0.164651D+01 -0.372020D+01 -0.153339D+01 -0.100322D+01  0.100989D+01
      4   0.921861D+01 -0.762305D+01  0.771478D+01  0.395198D+01 -0.421306D+01
      5  -0.578958D+01  0.228145D+02 -0.361118D+01 -0.431051D+01  0.210506D+01
      6  -0.528637D+01  0.616765D+01 -0.346139D+01 -0.309793D+01  0.464159D+01
               151           152           153           154           155 
      1  -0.578480D+01 -0.624681D+00  0.404205D+01 -0.389100D+01  0.822270D+01
      2   0.872148D+01  0.245953D+00 -0.916956D+01  0.335193D+01 -0.812750D+01
      3  -0.293668D+01  0.378727D+00  0.512751D+01  0.539062D+00 -0.951997D-01
      4  -0.485600D+01 -0.308402D+01  0.394612D+01 -0.116462D+01  0.932672D+00
      5   0.166796D+02  0.267546D+01 -0.136840D+02  0.141292D+01 -0.275768D+01
      6   0.422929D+01  0.395760D+01 -0.356928D+01 -0.484467D+01  0.847388D+01
               156           157           158           159           160 
      1  -0.664850D+01  0.762392D+01 -0.199835D+02  0.855668D+01 -0.377432D+01
      2   0.163898D+01 -0.763879D+01  0.221817D+02 -0.376344D+01  0.114632D+01
      3   0.500953D+01  0.148732D-01 -0.219817D+01 -0.479324D+01  0.262801D+01
      4  -0.460493D+00  0.258711D+01  0.614832D+01 -0.369640D+01 -0.944030D+00
      5   0.172284D+01 -0.460457D+01  0.533208D+00  0.216978D+01  0.294302D+01
      6  -0.503661D+01  0.570449D+01 -0.196513D+02  0.128781D+02 -0.321969D+01
               161           162           163           164           165 
      1   0.594514D+01 -0.672517D+01 -0.218437D+01 -0.124366D+01 -0.665933D+01
      2  -0.289262D+01  0.192655D+01 -0.198077D+01 -0.212907D+01 -0.196555D+01
      3  -0.305252D+01  0.479862D+01  0.416514D+01  0.337273D+01  0.862488D+01
      4  -0.144873D+01  0.412406D+00  0.160844D+00 -0.854996D+00 -0.142265D+01
      5  -0.177506D+00  0.523311D+00  0.916399D+00  0.161727D+01  0.275283D+01
      6   0.991193D+01 -0.647056D+01  0.185426D+01  0.480323D+01  0.205844D+01
               166           167           168           169           170 
      1  -0.281018D+01 -0.758155D+01 -0.816030D+01 -0.462609D+01 -0.484797D+01
      2  -0.570047D+00  0.234915D+00 -0.607188D+01 -0.735302D+00 -0.441048D+01
      3   0.338022D+01  0.734664D+01  0.142322D+02  0.536140D+01  0.925845D+01
      4  -0.582558D+00 -0.543055D+01 -0.356380D+01 -0.156047D+01 -0.324452D+01
      5   0.354127D+01  0.798739D-01 -0.423808D+01  0.445553D+01 -0.338510D+00
      6   0.375491D+01  0.100750D+02  0.783253D+01  0.226402D+01  0.781326D+01
               171 
      1  -0.986921D+01
      2  -0.764568D+01
      3   0.175149D+02
      4  -0.281319D+01
      5  -0.222183D+01
      6   0.632899D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.773834D+02      0.114670D+02      0.127588D+02
   aniso      0.105816D+02      0.156803D+01      0.174467D+01
   xx         0.791733D+02      0.117323D+02      0.130539D+02
   yx        -0.257184D+01     -0.381107D+00     -0.424038D+00
   yy         0.813072D+02      0.120485D+02      0.134057D+02
   zx         0.178200D+01      0.264065D+00      0.293811D+00
   zy        -0.138217D+01     -0.204816D+00     -0.227888D+00
   zz         0.716697D+02      0.106204D+02      0.118167D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.773834D+02      0.114670D+02      0.127588D+02
   aniso      0.105816D+02      0.156803D+01      0.174467D+01
   xx         0.779768D+02      0.115550D+02      0.128566D+02
   yx         0.504141D+01      0.747060D+00      0.831217D+00
   yy         0.763286D+02      0.113107D+02      0.125849D+02
   zx         0.383910D+00      0.568896D-01      0.632982D-01
   zy         0.330475D+01      0.489714D+00      0.544880D+00
   zz         0.778447D+02      0.115354D+02      0.128349D+02

 ----------------------------------------------------------------------
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 POCKETA-POCKETA
 BARON VON RICHTOFEN
 SLAUGHTERED THE ALLIES WITH
 HARDLY A CARE.
 KILLED EIGHTY-ONE WITH HIS
 BLOOD-COLORED TRIPLANE, THEN
 UN-AEROBATICALLY
 PLUNGED FROM THE AIR.
   -- TONY HOFFMAN
 Job cpu time:       0 days  2 hours 35 minutes 27.8 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 29.4 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:06:38 2021.
